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- 1. phys. stat. sol. (b) 245, 1298-1314 (2008) , “EPR identification of intrinsic defects in SiC”, J. Isoya, T. Umeda, N. Mizuochi, N. T. Son, E. Janzen, T. OhshimaThe structure determination of intrinsic defects in 4H-SiC, 6H-SiC, and 3C-SiC by means of EPR is based on measuring the angular dependence of the 29Si/13C hyperfine (HF) satellite lines, from which spin densities, sp-hybrid ratio, and p-orbital direction can be determined over... (Read more)Si SiC diamond| EPR Theory electron-irradiation thermal-meas./anneal-exp.| +1 -1 0(neutral) 1.0eV~ 13C 29Si C1h C3v Carbon Csi D2d EI5/6 HEI1 HEI9/10 P6/7 Silicon T1 Td Tv2a V1/2/3 Vc Vsi antisite dangling-bond mono(=1) motional-effect n-type p-type pair(=2) quartet semi-insulating spin-relaxation triplet vacancy .inp files: SiC/Baranov/Baranov_g.inp SiC/EI5_C1h/5.inp SiC/EI5_C3v/5.inp SiC/EI6_RT/6.inp SiC/HEI10/HEI10a.inp SiC/HEI10/HEI10b.inp SiC/HEI1_C1h/1.inp SiC/HEI9/HEI9a.inp SiC/HEI9/HEI9b.inp SiC/SI5_C1h/4.inp SiC/Ky2/Ky2.inp SiC/Tv2a/Main.INP SiC/Vsi-_II_4H/Main.INP SiC/Vsi-_II_6H/Main.INP SiC/Vsi-_I_4H/Main.INP SiC/Vsi-_I_6H/Main.INP | last update: Takahide Umeda
- 2. Appl. Phys. Lett. 91, 133507 (2007) , “Identification of atomic-scale defect structure involved in the negative bias temperature instability in plasma-nitrided devices”, J. P. Campbell, P. M. Lenahan, A. T. Krishnan, and S. KrishnanWe utilize a very sensitive electron spin resonance technique called spin-dependent tunneling to identify defect centers involved in the negative bias temperature instability in plasma-nitrided p-channel metal-oxide-silicon field-effect transistors. The defect's 29Si hyperfine... (Read more)
- 3. Appl. Phys. Lett. 90, 123502 (2007) , “Observation of negative bias stressing interface trapping centers in metal gate hafnium oxide field effect transistors using spin dependent recombination”,The authors combine metal oxide semiconductor (MOS) gated diode measurements and very sensitive electrically detected electron spin resonance measurements to detect and identify negative bias temperature instability (NBTI) generated defect centers in fully processed HfO2 pMOS field effect... (Read more)
- 4. J. Appl. Phys. 102, 013530 (2007) , “Fluorine-vacancy complexes in Si-SiGe-Si structures”, D. A. Abdulmalik, P. G. Coleman, H. A. W. El Mubarek, and P. AshburnFluorine-vacancy (FV) complexes have been directly observed in the Si0.94Ge0.06 layer in a Si-SiGe-Si structure, using variable-energy positron annihilation spectroscopy (VEPAS). These complexes are linked to the significant reduction of boron diffusion in the SiGe layer via... (Read more)
- 5. Phys. Rev. B 75, 195209 (2007) , “Mechanism and energetics of self-interstitial formation and diffusion in silicon”, Ramakrishnan Vaidyanathan, Michael Y. L. Jung, and Edmund G. SeebauerRecent work has suggested that prior determinations of diffusion mechanism and point defect thermodynamics in silicon have been affected by nonequilibrium effects stemming from uncontrolled adsorption-induced suppression of a pathway for defect creation at the surface. Through silicon self-diffusion... (Read more)
- 6. Phys. Rev. B 75, 144103 (2007) , “Multiscale modeling of point defects in Si-Ge(001) quantum wells”, B. Yang and V. K. TewaryA computationally efficient hybrid Green's function (GF) technique is developed for multiscale modeling of point defects in a trilayer lattice system that links seamlessly the length scales from lattice (subnanometers) to continuum (bulk). The model accounts for the discrete structure of the lattice... (Read more)
- 7. Phys. Rev. B 75, 115111 (2007) , “Spin dynamics in a weakly itinerant magnet from 29Si NMR in MnSi”, M. Corti, F. Carbone, M. Filibian, Th. Jarlborg, A. A. Nugroho, and P. Carretta29Si NMR spectra and nuclear spin-lattice relaxation rate measurements in MnSi paramagnetic phase are presented. The experimental results are analyzed in the framework of the self-consistent renormalization theory for spin fluctuations, and detailed estimates of microscopic parameters... (Read more)
- 8. Phys. Rev. B 75, 085439 (2007) , “Real-space investigation of fast diffusion of hydrogen on Si(001) by a combination of nanosecond laser heating and STM”, C. H. Schwalb, M. Lawrenz, M. Dürr,, and U. HöferThe rearrangement of silicon dangling bonds induced by pulsed laser heating of monohydride-covered Si(001) surfaces has been studied by means of scanning tunneling microscopy (STM). The initial configurations, which were created by laser-induced thermal desorption, consist of isolated pairs of... (Read more)
- 9. Phys. Rev. B 75, 085423 (2007) , “Room-temperature atmospheric oxidation of Si nanocrystals after HF etching”, X. D. Pi, L. Mangolini, S. A. Campbell, and U. KortshagenThe effect of HF etching of the silicon oxide shell covering the surface of Si nanocrystals (NCs) on the subsequent room-temperature atmospheric oxidation of Si-NCs has been investigated by means of photoluminescence measurements, Fourier transform infrared spectroscopy, and electron paramagnetic... (Read more)
- 10. Phys. Rev. B 75, 075304 (2007) , “Damage evolution in low-energy ion implanted silicon”, R. Karmouch, Y. Anahory, J.-F. Mercure, D. Bouilly, M. Chicoine, G. Bentoumi, R. Leonelli, Y. Q. Wang, and F. SchiettekatteThe annealing of damage generated by low-energy ion implantation in polycrystalline silicon (poly-Si) and amorphous silicon (a-Si) is compared. The rate of heat release between implantation temperature and 350–500 °C for Si implanted in both materials and for different ions implanted in... (Read more)
- 11. Phys. Rev. B 75, 075206 (2007) , “Isotope dependence of the vibrational lifetimes of light impurities in Si from first principles”, D. West and S. K. EstreicherThe vibrational lifetimes of a range of H-related defects and interstitial O (Oi) in Si, including isotopic substitutions, are calculated from first principles as a function of temperature. The theoretical approach is explained in detail. The vibrational lifetimes of... (Read more)
- 12. Phys. Rev. B 75, 075201 (2007) , “Influence of isotopic substitution and He coimplantation on defect complexes and voids induced by H ions in silicon”, O. Moutanabbir, B. Terreault, M. Chicoine, F. Schiettekatte, and P. J. SimpsonWe present a detailed study of the comparative thermal evolutions of H- and D-related defects in silicon implanted with 2×1016 H or D/cm2, or coimplanted with 0.25×1016 He/cm2 and 0.7×1016 H/cm2, in both orders.... (Read more)
- 13. Phys. Rev. B 75, 073409 (2007) , “Why thermal H2 molecules adsorb on SiC(001)-c(4×2) and not on SiC(001)-(3×2) at room temperature”, Xiangyang Peng, Peter Krüger, and Johannes PollmannIn a recent experiment, Derycke et al. have made the exciting observation that H2 molecules readily adsorb dissociatively on the c(4×2) but not on the 3×2 surface of SiC(001) at room temperature. To unravel this spectacular reactivity difference, we have investigated a... (Read more)
- 14. Phys. Rev. B 75, 035211 (2007) , “Self- and foreign-atom diffusion in semiconductor isotope heterostructures. II. Experimental results for silicon”, H. Bracht, H. H. Silvestri, I. D. Sharp, and E. E. HallerWe report the diffusion of boron, arsenic, and phosphorus in silicon isotope multilayer structures at temperatures between 850 °C and 1100 °C. The diffusion of all dopants and self-atoms at a given temperature is modeled with the same setting of all native-point-defect-related parameters.... (Read more)
- 15. Phys. Rev. B 75, 024205 (2007) , “Mechanical strength and coordination defects in compressed silica glass: Molecular dynamics simulations”, Yunfeng Liang, Caetano R. Miranda, and Sandro ScandoloContrary to ordinary solids, which are normally known to harden by compression, the compressibility of SiO2 (silica) glass has a maximum at about 2–4 GPa and its mechanical strength shows a minimum around 10 GPa. At this pressure, the compression of silica glass undergoes a change... (Read more)
- 16. Phys. Rev. B 75, 024109 (2007) , “Optical and EPR properties of point defects at a crystalline silica surface: Ab initio embedded-cluster calculations”, L. Giordano, P. V. Sushko, G. Pacchioni, and A. L. ShlugerWe have studied the structure and spectroscopic properties of the paramagnetic nonbridging oxygen hole center and of the Egamma[prime]" align="middle"> center at the hydroxylated silica surfaces using density functional theory and an embedded-cluster model. To investigate the... (Read more)
- 17. Phys. Rev. Lett. 98, 265502 (2007) , “Monovacancy and Interstitial Migration in Ion-Implanted Silicon”, P. G. Coleman and C. P. BurrowsThe migration of monovacancies (V0) and self-interstitials (I) has been observed in ion-implanted low-doped float-zone silicon by variable-energy positron annihilation spectroscopy. V0 and I were created by the in situ implantation of ~20 keV... (Read more)
- 18. Appl. Phys. Lett. 89, 253124 (2006) , “White electroluminescence from C- and Si-rich thin silicon oxides”, O. Jambois, B. Garrido, P. Pellegrino, Josep Carreras, A. Pérez-Rodríguez, J. Montserrat, C. Bonafos, G. BenAssayag, and S. SchammWhite electroluminescence from carbon- and silicon-rich silicon oxide layers is reported. The films were fabricated by Si and C ion implantation at low energy in 40 nm thick SiO2, followed by annealing at 1100 °C. Structural and optical studies allow assigning the... (Read more)
- 19. Appl. Phys. Lett. 89, 191903 (2006) , “Vacancy self-trapping during rapid thermal annealing of silicon wafers”, Thomas A. Frewen and Talid SinnoThe density and spatial distribution of oxide precipitates within a crystalline silicon wafer is of paramount importance for microelectronic device yield. In this letter, the authors show how the formation of previously unconsidered, very small vacancy aggregates can explain macroscopic spatial... (Read more)
- 20. Appl. Phys. Lett. 89, 171916 (2006) , “Evidences of F-induced nanobubbles as sink for self-interstitials in Si”, S. Boninelli, A. Claverie, G. Impellizzeri, S. Mirabella, F. Priolo, E. Napolitani, and F. CristianoThe beneficial effects of F implantation on the modification of extended defects in Si have been studied. Preamorphized Si samples were implanted with F (75 keV, 6×1015 F/cm2) and regrown by solid phase epitaxy (SPE) at 700 °C. The formation, just after SPE, of a... (Read more)
- 21. Appl. Phys. Lett. 89, 112106 (2006) , “Effects of edge dislocations and intentional Si doping on the electron mobility of n-type GaN films”, D. G. Zhao, Hui Yang, J. J. Zhu, D. S. Jiang, Z. S. Liu, S. M. Zhang, Y. T. Wang, and J. W. LiangThe effects of dislocations and Si doping on the electrical properties of n-type GaN grown by metal organic chemical vapor deposition (MOCVD) are investigated. It is found that both electron mobility and carrier concentration are strongly influenced by edge dislocations. A moderate Si doping... (Read more)
- 22. Appl. Phys. Lett. 89, 092120 (2006) , “Defect generation at SiO2/Si interfaces by low pressure chemical vapor deposition of silicon nitride”, Hao Jin, K. J. Weber, and P. J. SmithLow pressure chemical vapor deposition of Si3N4 on oxidized Si (111) surfaces causes a change in the properties of the dominant interface defect, the Pb center, observed by electron paramagnetic resonance. The change in the signature of the... (Read more)
- 23. Appl. Phys. Lett. 89, 092113 (2006) , “Large fluorine-vacancy clusters in Si and their capture efficiency for self-interstitials”, Giorgia M. Lopez and Vincenzo FiorentiniBased on ab initio density-functional energetics for saturated (n=2m+2) fluorine-vacancy clusters FnVm for m up to 4, the authors set up a model showing that (a) fluorine-vacancy (FV) aggregates in Si can form in any... (Read more)
- 24. Appl. Phys. Lett. 89, 063508 (2006) , “Electron trap density distribution of Si-rich silicon nitride extracted using the modified negative charge decay model of silicon-oxide-nitride-oxide-silicon structure at elevated temperatures”, Tae Hun Kim, Il Han Park, Jong Duk Lee, Hyung Cheol Shin, and Byung-Gook ParkThe authors modified the charge decay model of silicon-oxide-nitride-oxide-silicon-type memory at the temperatures above 150 °C. The modified model includes the effect of the internal electric field induced by the charges trapped in silicon nitride layer. The authors extracted the trap density... (Read more)
- 25. Appl. Phys. Lett. 89, 053511 (2006) , “Density functional theory study of deep traps in silicon nitride memories”, Max Petersen and Yakov RoizinUsing density functional theory, the interaction of hydrogen with a nitrogen vacancy in -Si3N4 is investigated. A single H atom was found to be energetically favorable over non- and doubly protonated vacancies. The traps composed of excess silicon and hydrogen have negative... (Read more)
- 26. Appl. Phys. Lett. 88, 253504 (2006) , “Single silicon vacancy-oxygen complex defect and variable retention time phenomenon in dynamic random access memories”, T. Umeda, K. Okonogi, K. Ohyu, S. Tsukada, K. Hamada, S. Fujieda, and Y. MochizukiThe variable retention time phenomenon has recently been highlighted as an important issue in dynamic random access memory (DRAM) technology. Based on electrically detected magnetic resonance and simulation studies, we suggest that a single Si vacancy-oxygen complex defect is responsible for this... (Read more)
- 27. Appl. Phys. Lett. 88, 162107 (2006) , “Physical origin of threshold voltage problems in polycrystalline silicon/HfO2 gate stacks”, Dae Yeon Kim, Joongoo Kang, and K. J. ChangBased on theoretical calculations, we find that at p+ polycrystalline silicon (poly-Si)/HfO2 gates, Si interstitials are easily migrated from the electrode, forming HfSi bonds with a charge transfer to the electrode, and the resulting interface dipole raises the Fermi level... (Read more)
- 28. Appl. Phys. Lett. 88, 161905 (2006) , “Defect characterization of Si-doped GaN films by a scanning near-field optical microscope-induced photoluminescence”, M. Yoshikawa, R. Sugie, M. Murakami, T. Matsunobe, K. Matsuda, and H. IshidaWe developed a tapping-mode-scanning near-field optical microscope to measure near-field photoluminescence (SNOM-PL) with nanometer spatial resolution using an ultraviolet laser, and we measured the defect distribution of a Si-doped GaN film. The obtained result was compared with one measured by... (Read more)
- 29. Appl. Phys. Lett. 88, 153518 (2006) , “Negative bias temperature instability mechanism: The role of molecular hydrogen”, Anand T. Krishnan, Srinivasan Chakravarthi, Paul Nicollian, Vijay Reddy, and Srikanth KrishnanThe role of dimerization of atomic hydrogen to give molecular hydrogen in determining negative bias temperature instability (NBTI) kinetics is explored analytically. The time dependency of NBTI involving molecular hydrogen was found to obey a power law with a slope of 1/6, as opposed to the 1/4... (Read more)
- 30. Appl. Phys. Lett. 88, 142112 (2006) , “Hydrogen self-trapping near silicon atoms in Ge-rich SiGe alloys”, R. N. Pereira, B. Bech Nielsen, J. Coutinho, V. J. B. Torres, P. R. BriddonInfrared absorption spectroscopy and ab initio density functional modeling are used to investigate hydrogen defects that are stable at and above room temperature in proton-implanted Ge-rich SiGe alloys. We find that Si atoms are effective nucleation sites for hydrogen, leading to the... (Read more)
- 31. Appl. Phys. Lett. 88, 121914 (2006) , “Effect of C/Si ratio on deep levels in epitaxial 4H–SiC”, C. W. Litton, D. Johnstone, S. Akarca-Biyikli, K. S. Ramaiah, I. Bhat, T. P. Chow, J. K. Kim, E. F. SchubertChanging the ratio of carbon to silicon during the epitaxial 4HSiC growth is expected to alter the dominant deep level trap, which has been attributed to a native defect. The C/Si ratio was changed from one to six during epitaxial growth of SiC. Diodes fabricated on the epitaxial layer were... (Read more)
- 32. Appl. Phys. Lett. 88, 012101 (2006) , “The structure of the SiO2/Si(100) interface from a restraint-free search using computer simulations”, Dominik Fischer, Alessandro Curioni, Salomon Billeter, and Wanda AndreoniThe structure of the interface between SiO2 and Si(100) is investigated using the replica-exchange method driven by classical molecular dynamics simulations based on ab initio-derived interatomic potentials. Abrupt interfaces are shown to be unstable, whereas a substoichiometric... (Read more)
- 33. J. Appl. Phys. 100, 094108 (2006) , “The effect of interfacial layer properties on the performance of Hf-based gate stack devices”, G. Bersuker, C. S. Park, J. Barnett, P. S. Lysaght, P. D. Kirsch, C. D. Young, R. Choi, B. H. Lee, B. Foran, K. van Benthem, S. J. Pennycook, P. M. Lenahan, and J. T. RyanThe influence of Hf-based dielectrics on the underlying SiO2 interfacial layer (IL) in high-k gate stacks is investigated. An increase in the IL dielectric constant, which correlates to an increase of the positive fixed charge density in the IL, is found to depend on the starting,... (Read more)
- 34. J. Appl. Phys. 100, 033711 (2006) , “Damage and recovery in boron doped silicon on insulator layers after high energy Si+ implantation”, M. Ferri, S. Solmi, D. Nobili, and A. ArmigliatoThe effects of 2 MeV Si+ implantation on silicon-on-insulator layers uniformly doped with B at concentrations 1.0 and 1.8×1020 cm3, and the kinetics of damage recovery were investigated by carrier density, mobility measurements, and transmission... (Read more)
- 35. J. Appl. Phys. 100, 033523 (2006) , “The CiCs(SiI) defect in silicon: An infrared spectroscopy study”, M. S. Potsidi and C. A. LondosInfrared (IR) spectroscopy was employed for a thorough study of the CiCs(SiI) defect formed in neutron-irradiated carbon-doped Czochralski silicon material. Its IR signals at 987 and 993 cm1, as well as the thermal evolution of the... (Read more)
- 36. J. Appl. Phys. 100, 033517 (2006) , “Sources of optical absorption between 5.7 and 5.9 eV in silica implanted with Si or O”, R. H. Magruder, III, A. Stesmans, K. Clémer, R. A. Weeks, and R. A. WellerTo determine if the only source of optical absorption between 5.8 and 5.9 eV is the E center (absorbing at 5.85 eV) two separate suites of type III silica samples were implanted, one with Si and one with O. Several ion energies were used for implantation to produce layers 600 and... (Read more)
- 37. J. Appl. Phys. 99, 013515 (2006) , “Defects and electrical behavior in 1 MeV Si+-ion-irradiated 4H–SiC Schottky diodes”, F. Roccaforte, S. Libertino, V. Raineri, A. Ruggiero, V. Massimino, and L. CalcagnoIn this paper, the formation and evolution of defects induced by ion irradiation with 1 MeV Si+ ions in Ni2Si/4HSiC Schottky diodes were studied and correlated with the electrical properties of the contacts. The current-voltage characteristics of the contacts... (Read more)
- 38. Microelectron. Reliability 46, 1 (2006) , “NBTI degradation: From physical mechanisms to modelling”,An overview of the evolution of transistor parameters under negative bias temperature instability stress conditions commonly observed in p-MOSFETs in recent technologies is presented. The physical mechanisms of the degradation as well as the different defects involved have been discussed according to a systematic set of experiments with different stress conditions. According to our findings, a physical model is proposed which could be used to more accurately predict the transistor degradation. Finally, based on our new present understanding, a new characterization methodology is proposed, which would open the way to a more accurate determination of parameter shifts and thus allowing implementing the degradation into design rules. (Read more)
- 39. Phys. Rev. B 74, 235301 (2006) , “Precursor mechanism for interaction of bulk interstitial atoms with Si(100)”, Xiao Zhang, Min Yu, Charlotte T. M. Kwok, Ramakrishnan Vaidyanathan, Richard D. Braatz, and Edmund G. SeebauerIn the same way that gases react with surfaces from above, solid-state point defects such as interstitial atoms can react from below. Little attention has been paid to this form of surface chemistry. Recent bulk self-diffusion measurements near the Si(100) surface have quantified Si interstitial... (Read more)
- 40. Phys. Rev. B 74, 235209 (2006) , “Comparison of two methods for circumventing the Coulomb divergence in supercell calculations for charged point defects”, A. F. Wright and N. A. ModineDensity-functional-theory calculations were performed for the unrelaxed +2 Si vacancy and +2 self-interstitial utilizing periodic boundary conditions and two different methods—the uniform background charge method and the local moment counter charge method—for circumventing the divergence... (Read more)
- 41. Phys. Rev. B 74, 205324 (2006) , “Surface smoothness of plasma-deposited amorphous silicon thin films: Surface diffusion of radical precursors and mechanism of Si incorporation”, Mayur S. Valipa, Tamas Bakos, and Dimitrios MaroudasWe present a detailed analysis of the fundamental atomic-scale processes that determine the surface smoothness of hydrogenated amorphous silicon (a-Si:H) thin films. The analysis is based on a synergistic combination of molecular-dynamics (MD) simulations of radical precursor migration on surfaces... (Read more)
- 42. Phys. Rev. B 74, 205208 (2006) , “Formation energies, binding energies, structure, and electronic transitions of Si divacancies studied by density functional calculations”, R. R. Wixom and A. F. WrightAtomic configurations, formation energies, electronic transition energies, and binding energies of the silicon divacancy in the +1, 0, −1, and −2 charge states were obtained from density functional theory calculations. The calculations were performed using the local density approximation... (Read more)
- 43. Phys. Rev. B 74, 205202 (2006) , “Structural model of amorphous silicon annealed with tight binding”, N. Bernstein, J. L. Feldman,, and M. FornariWe present a model of amorphous silicon generated by extensive annealing of a continuous random network structure using a molecular dynamics simulation with forces computed by a tight-binding total energy method. We also produce a refined model by relaxing the annealed model using density functional... (Read more)
- 44. Phys. Rev. B 74, 195202 (2006) , “Interstitial-mediated mechanisms of As and P diffusion in Si: Gradient-corrected density-functional calculations”, Scott A. Harrison, Thomas F. Edgar, and Gyeong S. HwangGradient-corrected density-functional calculations are used to determine the structure, stability, and diffusion of arsenic-interstitial and phosphorus-interstitial pairs in the positive, neutral, and negative charge states. For both cases, our calculations show that the neutral pair will be... (Read more)
- 45. Phys. Rev. B 74, 174115 (2006) , “Modeling of damage generation mechanisms in silicon at energies below the displacement threshold”, Iván Santos, Luis A. Marqués, and Lourdes PelazWe have used molecular dynamics simulation techniques to study the generation of damage in Si within the low-energy deposition regime. We have demonstrated that energy transfers below the displacement threshold can produce a significant amount of damage, usually neglected in traditional radiation... (Read more)
- 46. Phys. Rev. B 74, 153403 (2006) , “Doping and the unique role of vacancies in promoting the magnetic ground state in carbon nanotubes and C60 polymers”, Antonis N. Andriotis, R. Michael Sheetz, and Madhu MenonThe role of various types of defects in establishing the magnetic properties of the C60-based polymers and the single-wall carbon nanotubes is investigated. Comparing the role of carbon vacancies, and that of substitutional impurity atoms X (X=N, B, O, Si, P, and S) in... (Read more)
- 47. Phys. Rev. B 74, 125203 (2006) , “Density functional theory of structural transformations of oxygen-deficient centers in amorphous silica during hole trapping: Structure and formation mechanism of the Egamma[prime]" align="middle"> center”, T. Uchino and T. YokoWe investigate the hole trapping process of a neutral oxygen vacancy in amorphous silicon dioxide (a-SiO2) using cluster calculations based on the density functional theory (DFT) method. We show that trapping a hole at a neutral oxygen vacancy leads to the formation of several... (Read more)
- 48. Phys. Rev. B 74, 121201 (2006) , “Prediction of the anomalous fluorine-silicon interstitial pair diffusion in crystalline silicon”, Scott A. Harrison, Thomas F. Edgar, and Gyeong S. HwangWe propose a diffusion pathway for a fluorine-silicon interstitial pair (F-Sii) in silicon based on extensive first-principles density functional calculations. We find the F-Sii pair to be most stable in the singly positive charge state under intrinsic conditions and can exist... (Read more)
- 49. Phys. Rev. B 73, 235211 (2006) , “Ab initio calculations for the interconversion of optically active defects in amorphous silica”, M. M. G. Alemany and James R. ChelikowskyUsing ab initio calculations on clusters, we have identified a new reaction path between the dicoordinated silicon atom defect and the paramagnetic Egamma[prime]" align="middle"> center in amorphous silica. Under ionizing irradiation, the dicoordinated silicon atom... (Read more)
- 50. Phys. Rev. B 73, 073302 (2006) , “Origin of Pb1 center at SiO2/Si(100) interface: First-principles calculations”, K. Kato, T. Yamasaki, T. UdaBased on first-principles calculations, we studied the generation behavior of Pb centers at SiO2/Si interfaces, especially for Pb1 centers, under oxidation of Si(100) surfaces. Pb1 centers were found to be formed... (Read more)
- 51. Phys. Rev. B 73, 033204 (2006) , “Electrical characterization of metastable carbon clusters in SiC: A theoretical study”, A. Gali, N. T. Son, E. JanznFirst-principles calculations carried out in 3C- and 4H-SiC show that small metastable carbon clusters can be created in irradiated SiC. The metastable carbon clusters possess occupation levels in the p-type as well as in the n-type 4H-SiC. Depending on the... (Read more)
- 52. Phys. Rev. B 73, 014111 (2006) , “Structure of SiO2/4H-SiC interface probed by positron annihilation spectroscopy”, M. Maekawa, A. Kawasuso, M. Yoshikawa, A. Miyashita, R. Suzuki, T. OhdairaThe structure of the SiO2/4H-SiC interface produced by dry oxidation has been studied using positron annihilation spectroscopy using energy-variable slow positron beams. Based on the Doppler broadening shape and wing parameter (S-W) correlation, the interface layer was... (Read more)
- 53. Phys. Rev. Lett. 97, 135502 (2006) , “29Si Hyperfine Structure of the Eα Center in Amorphous Silicon Dioxide”, G. Buscarino, S. Agnello, and F. M. GelardiWe report a study by electron paramagnetic resonance on the Eα point defect in amorphous silicon dioxide (a-SiO2). Our experiments were performed on γ-ray irradiated oxygen-deficient materials and pointed out that the 29Si... (Read more)
- 54. Phys. Rev. Lett. 96, 55501 (2006) , “Divacancy in 4H-SiC”, N. T. Son, P. Carlsson, J. ul Hassan, E. Janzén, T. Umeda, J. Isoya, A. Gali, M. Bockstedte, N. Morishita, T. Ohshima, H. ItohElectron paramagnetic resonance and ab initio supercell calculations suggest that the P6/P7 centers, which were previously assigned to the photoexcited triplet states of the carbon vacancy-antisite pairs in the double positive charge state, are related to the triplet ground... (Read more)
- 55. Phys. Rev. Lett. 96, 145501 (2006) , “Identification of the Carbon Antisite-Vacancy Pair in 4H-SiC”, T. Umeda, N. T. Son, J. Isoya, E. Janzn, T. Ohshima, N. Morishita, H. Itoh, A. Gali, M. BockstedteThe metastability of vacancies was theoretically predicted for several compound semiconductors alongside their transformation into the antisite-vacancy pair counterpart; however, no experiment to date has unambiguously confirmed the existence of antisite-vacancy pairs. Using electron paramagnetic resonance and first principles calculations we identify the SI5 center as the carbon antisite-vacancy pair in the negative charge state (CSiVC-) in 4H-SiC. We suggest that this defect is a strong carrier-compensating center in n-type or high-purity semi-insulating SiC. (Read more)SiC| ENDOR EPR Theory electron-irradiation optical-spectroscopy thermal-meas./anneal-exp.| -1 -2 1.0eV~ 13C 29Si C1h C3v Carbon Csi EI5/6 HEI1 HEI5/6 Nitrogen P6/7 SI5 Silicon Vc antisite bistable/metastable dangling-bond n-type pair(=2) semi-insulating vacancy .inp files: SiC/SI5_C1h SiC/SI5_80K SiC/SI5_100K | last update: Takashi Fukushima
- 56. Appl. Phys. Lett. 87, 261907 (2005) , “Verification of the O–Si–N complex in plasma-enhanced chemical vapor deposition silicon oxynitride films”, S. Naskar, S. D. Wolter, C. A. Bower, B. R. Stoner, J. T. GlassSilicon oxynitride films were deposited using a plasma-enhanced chemical vapor deposition process. The bond configurations of the constituent atoms in the deposited film were analyzed using x-ray photoelectron spectroscopy. Analysis of the Si 2p spectra showed the presence of... (Read more)
- 57. Appl. Phys. Lett. 87, 231905 (2005) , “Structure, stability, and diffusion of arsenic-silicon interstitial pairs”, Scott A. Harrison, Thomas F. Edgar, and Gyeong S. HwangRecent experimental studies [A. Ural, P. B. Griffin, and J. D. Plummer, J. Appl. Phys. 85, 6440 (1999); R. Kim, T. Hirose, T. Shano, H. Tsuji, and K. Taniguchi, Jpn. J. Appl. Phys. 41, 227 (2002); S. Solmi, M. Ferri, M. Bersani, D. Giubertoni, and V. Soncini, J. Appl. Phys. 94,... (Read more)
- 58. Appl. Phys. Lett. 87, 204106 (2005) , “Direct observation of the structure of defect centers involved in the negative bias temperature instability”, J. P. Campbell and P. M. LenahanWe utilize a very sensitive electron paramagnetic resonance technique called spin-dependent recombination to observe and identify defect centers generated by modest negative bias and moderately elevated temperatures in fully processed p-channel metal-oxide-silicon field-effect transistors.... (Read more)
- 59. Microelectron. Reliability 45, 71 (2005) , “A comprehensive model of PMOS NBTI degradation ”,Negative bias temperature instability has become an important reliability concern for ultra-scaled Silicon IC technology with significant implications for both analog and digital circuit design. In this paper, we construct a comprehensive model for NBTI phenomena within the framework of the standard reaction–diffusion model. We demonstrate how to solve the reaction–diffusion equations in a way that emphasizes the physical aspects of the degradation process and allows easy generalization of the existing work. We also augment this basic reaction–diffusion model by including the temperature and field-dependence of the NBTI phenomena so that reliability projections can be made under arbitrary circuit operating conditions. (Read more)
- 60. Microelectron. Reliability 45, 57 (2005) , “Characterization of interface defects related to negative-bias temperature instability SiON/Si<100> systems ”,Interface defects related to negative-bias temperature instability (NBTI) in an ultrathin plasma-nitrided SiON/ Si<100> system were characterized by using conductance–frequency measurements, electron-spin resonance measure- ments, and synchrotron radiation X-ray photoelectron spectroscopy. It was confirmed that NBTI is reduced by using D2-annealing instead of the usual H2-annealing. Interfacial Si dangling bonds (Pb1 and Pb0 centers) were detected in a sample subjected to negative-bias temperature stress (NBTS). Although we suggest that NBTS also generates non-Pb defects, it does not seem to generate nitrogen dangling bonds. These results show that NBTI of the plasma-nitrided SiON/Si system is predominantly due to Pb depassivation. Plasma nitridation was also found to increase the Pb1/Pb0 density ratio, modify the Pb1 defect structure, and increase the latent interface trap density by generating Si suboxides at the interface. These changes are likely to be the causes of NBTI in ultrathin plasma-nitrided SiON/Si systems. (Read more)
- 61. Phys. Rev. B 72, 235208 (2005) , “Spin multiplicity and charge state of a silicon vacancy (TV2a) in 4H-SiC determined by pulsed ENDOR”, N. Mizuochi, S. Yamasaki, H. Takizawa, N. Morishita, T. Ohshima, H. Itoh, T. Umeda, and J. IsoyaIn this paper, we unambiguously re-determine the spin multiplicity of TV2a by pulsed electron nucleus double resonance technique. The TV2a center is one of the most commonly observed defects in 4H-SiC, and its origin was... (Read more)
- 62. Phys. Rev. B 72, 045219 (2005) , “Fluorine in Si: Native-defect complexes and the supression of impurity diffusion”, Giorgia M. Lopez, Vincenzo Fiorentini, Giuliana Impellizzeri, Salvatore Mirabella, Enrico NapolitaniThe transient enhanced diffusion of acceptor impurities severely affects the realization of ultrahigh doping regions in miniaturized Si-based devices. Fluorine codoping has been found to suppress this transient diffusion, but the mechanism underlying this effect is not understood. It has been proposed that fluorine-impurity or fluorine–native-defect interactions may be responsible. Here we clarify this mechanism combining first-principles theoretical studies of fluorine in Si and purposely designed experiments on Si structures containing boron and fluorine. The central interaction mechanism is the preferential binding of fluorine to Si-vacancy dangling bonds and the consequent formation of vacancy-fluorine complexes. The latter effectively act as traps for the excess self-interstitials that would normally cause boron transient enhanced diffusion. Instead, fluorine-boron interactions are marginal and do not play any significant role. Our results are also consistent with other observations such as native-defect trapping and bubble formation. (Read more)
- 63. Phys. Rev. B 71, 245203 (2005) , “Electrical Activity of Er and Er-O Centers in Silicon”, D. Prezzi, T. A. G. Eberlein, R. Jones, J. S. Filhol, J. Coutindo, M. J. Shaw, P. R. Briddon.Spin-polarized density functional calculations are carried out on Er and Er-oxygen defects in crystalline Si. We find that the interstitial site is favored but the diffusion barrier of Eri is only 1.9 eV, and inevitably Eri forms complexes with impurities and... (Read more)
- 64. Phys. Rev. B 71, 193204 (2005) , “Angular correlation of annihilation radiation associated with vacancy defects in electron-irradiated 6H-SiC”, A. Kawasuso, T. Chiba, T. HiguchiElectron-positron momentum distributions associated with vacancy defects in 6H-SiC after irradiation with 2-MeV electrons and annealing at 1000 °C have been studied using angular correlation of annihilation radiation measurements. It was confirmed that the above vacancy defects have... (Read more)
- 65. Phys. Rev. B 71, 115204 (2005) , “Electron Spin Resonance Study of Paramagnetic Centers in Neutron-Irradiated Heat-Treated Silicon”, D. Pierreux and A. StesmansElectron spin resonance (ESR) was used to study neutron-induced defects in silicon as functions of anneal temperature Tan. For Tan below 200 °C, the ESR response is dominated by the Si-P3 and Si-P6 spectra, as observed before. At Tan=200 ... (Read more)
- 66. Appl. Phys. Lett. 85, 1538 (2004) , “Observation of fluorine-vacancy complexes in silicon”, P. J. Simpson, Z. Jenei, P. Asoka-Kumar, R. R. Robison, M. E. LawWe show direct evidence, obtained by positron annihilation spectroscopy, for the complexing of fluorine with vacancies in silicon. Both float zone and Czochralski silicon wafers were implanted with 30 keV fluorine ions to a fluence of 2×1014 ions/cm2, and studied in the... (Read more)
- 67. Appl. Phys. Lett. 84, 3406-3408 (2004) , “Structure of 6H silicon carbide/silicon dioxide interface trapping defects”, David J. Meyer, Nathaniel A. Bohna, and Patrick M. LenahanWe utilize spin-dependent recombination (SDR) to observe deep level trap defects at or very near the interface of 6H silicon carbide and the SiO2 gate dielectric in SiC metal-oxide-semiconductor field effect transistors. The SDR response is strongly correlated to SiC/SiO2... (Read more)
- 68. Eur. Phys. J. Appl. Phys. 27, 13-19 (2004) , “Measurement of process-induced defects in Si sub-micron devices by combination of EDMR and TEM”, T. Umeda, A. Toda, Y. MochizukiProcess-induced defects are a serious issue for modern sub-micron Si LSIs. To characterize such defects, two different techniques are useful: electrically detected magnetic resonance (EDMR) and transmission electron microscope (TEM), which can detect small (point) and extended defects, respectively. We applied EDMR and TEM to the issue of defect-induced leakage currents in dynamic-random-access memory (DRAM) cells. For our DRAM samples (a 0.25- μm-rule series), although TEM showed no extended defects, EDMR successfully detected two types of point defects: V2+O x (Si divacancy-oxygen complexes) and larger Si vacancies (at least larger than V6). We confirmed that these defects are the source of DRAM leakage currents. The observed defects were formed by ion implantation processes, but were more thermally stable than those in bulk Si crystals. The origins of this enhanced stability are attributed to the presence of oxygen atoms and a strong mechanical strain in LSIs. To clarify the origin of the complicated strain in LSI structures, we can directly measure the local-strain distribution in DRAM samples by means of convergent-beam electron diffraction (CBED) using TEM, which provides us with a valuable hint for understanding the formation mechanism of process-induced defects. (Read more)
- 69. IEEE Electron Device Lett. 25, 153 (2004) , “Evaluation of NBTI in HfO2 Gate-Dielectric Stacks With Tungsten Gates”,
- 70. J. Appl. Phys. 95, 4096 (2004) , “Nitridation effects on Pb center structures at SiO2/Si„(100) interfaces ”,Interfacial defect structures of NO-nitride oxide on Si(100) were characterized by electron spin resonance spectroscopy. We confirmed that the effective g values of the Pb1 center are affected by interfacial nitridation even at a small nitrogen concentration of 5 at. %, while those of the Pb0 center proved to be unchanged. We observed that the shifted Pb1 line appeared gradually with interfacial nitrogen concentration, which suggests that the nitrogen-induced modified structure substitutes for the original Pb1 structure. Angular variations of the shifted Pb1 lines were also significantly different from those of pure oxide. Based on our analysis, we attributed the g value shift of the Pb1 center to dangling bond tilting, caused by the displacement of nearest-neighbor Si atoms. (Read more)
- 71. Mater. Sci. Forum 457-460, 437 (2004) , “Defects in high-purity semi-insulating SiC”, N. T. Son, B. Magnusson, Z. Zolnai, A. Ellison, E. Janzén
- 72. Phys. Rev. B 70, 245204 (2004) , “Silicon vacancy annealing and DI luminescence in 6H-SiC”, M. V. B. Pinheiro, E. Rauls, U. Gerstmann, S. Greulich-Weber, H. Overhof, and J.-M. SpaethCombining electron paramagnetic resonance measurements with ab initio calculations, we identify the VCCSi(SiCCSi) complex as a second annealing product of the silicon vacancy via an analysis of resolved carbon hyperfine interactions and of... (Read more)
- 73. Phys. Rev. B 70, 235211 (2004) , “Structure and vibrational spectra of carbon clusters in SiC”, Alexander Mattausch, Michel Bockstedte, and Oleg PankratovThe electronic, structural, and vibrational properties of small carbon interstitial and antisite clusters are investigated by ab initio methods in 3C- and 4H-SiC. The defects possess sizable dissociation energies and may be formed via condensation of carbon interstitials, e.g.,... (Read more)
- 74. Phys. Rev. B 70, 201204(R) (2004) , “Annealing of vacancy-related defects in semi-insulating SiC”, U. Gerstmann, E. Rauls, and H. OverhofThe annealing of P6/P7 centers (VCCSi pairs) in the presence of carbon vacancies in high concentrations typical for semi-insulating (SI) silicon carbide (SiC) is studied theoretically. The calculated hyperfine parameters support the suggestion of a negatively... (Read more)
- 75. Phys. Rev. B 70, 195344 (2004) , “Ab initio study of structural and electronic properties of planar defects in Si and SiC”, C. Raffy, J. Furthmüller, J.-M. Wagner, and F. BechstedtWe present ab initio calculations for internal interfaces in Si and SiC. Density-functional calculations within the local-density approximation and the pseudopotential-plane-wave approach are performed to understand the effect of such two-dimensional defects on the electronic properties. We... (Read more)
- 76. Phys. Rev. B 70, 193207 (2004) , “Hyperfine interaction of the nitrogen donor in 4H-SiC”, N. T. Son, E. Janzén, J. Isoya, S. YamasakiShallow N donors in n-type 4H-SiC were studied by electron paramagnetic resonance (EPR) and electron nuclear double resonance (ENDOR). For the N donor at the cubic site (Nk) in 4H-SiC, the hyperfine (hf) constants of the interaction with the nearest-neighbor... (Read more)
- 77. Phys. Rev. B 70, 115203 (2004) , “Different roles of carbon and silicon interstitials in the interstitial-mediated boron diffusion in SiC”, Michel Bockstedte, Alexander Mattausch, and Oleg PankratovThe interstitial and vacancy mediated boron diffusion in silicon carbide is investigated with an ab initio method. The boron interstitials in p-type and n-type materials are found to be far more mobile than the boron-vacancy complexes. A kick-out mechanism and an interstitialcy... (Read more)
- 78. Phys. Rev. B 69, 245205 (2004) , “Atomistic study of intrinsic defect migration in 3C-SiC”, Fei Gao, William J. Weber, M. Posselt, and V. BelkoAtomic-scale computer simulations, both molecular dynamics (MD) and the nudged-elastic band methods, have been applied to investigate long-range migration of point defects in cubic SiC (3C-SiC) over the temperature range from 0.36Tm to 0.95Tm (melting... (Read more)
- 79. Phys. Rev. B 69, 233202 (2004) , “Diffusion of hydrogen in perfect, p-type doped, and radiation-damaged 4H-SiC”, B. Aradi, P. Deák, A. Gali, N. T. Son, E. JanzénThe diffusion of interstitial atomic hydrogen in 4H-SiC was investigated theoretically, using the local density approximation of density functional theory. We have found that the diffusion barrier in the perfect crystal is 0.6 eV. Comparing this value with the calculated zero point vibration... (Read more)
- 80. Phys. Rev. B 69, 125203 (2004) , “First-principles studies of the diffusion of B impurities and vacancies in SiC”, R. Rurali, E. Hernández, P. Godignon, J. Rebollo, and P. OrdejónIn this paper we analyze, by means of first-principles electronic structure calculations, the structural, energetic, and diffusive properties of B impurities in SiC as well as of vacancies. We focus our study on (i) determining the equilibrium structures of the impurity in the lattice by means of... (Read more)
- 81. Phys. Rev. B 69, 035205 (2004) , “Metastable and nonmetastable recombination-induced defect reactions involving a hydrogen complex with a silicon vacancy in SiC”, Yaroslav KoshkaThe nontrivial recombination-induced behavior of the well-known low-temperature photoluminescence of the hydrogen complex with a silicon vacancy (VSi-H) has been previously reported by different authors. It was known to be limited to the metastable quenching and/or growth. In this... (Read more)
- 82. Phys. Rev. Lett. 93, 245901 (2004) , “Ab Initio Calculations to Model Anomalous Fluorine Behavior”, Milan Diebel, Scott T. Dunhammplanted fluorine is observed to behave unusually in silicon, manifesting apparent uphill diffusion and reducing diffusion and enhancing activation of boron. In order to investigate fluorine behavior, we calculate the energy of fluorine defect structures in the framework of density functional theory. In addition to identifying the ground-state configuration and diffusion migration barrier of a single fluorine atom in silicon, a set of energetically favorable fluorine defect structures were found (FnVm). The decoration of vacancies and dangling silicon bonds by fluorine suggests that fluorine accumulates in vacancy-rich regions, which explains the fluorine redistribution behavior reported experimentally. (Read more)
- 83. Phys. Rev. Lett. 92, 105505 (2004) , “In situ ESR Observation of Interface Dangling Bond Formation Processes During Ultrathin SiO2 Growth on Si(111)”, W. Futako, N. Mizuochi, and S. YamasakiWe report the formation processes of interface dangling bonds (Pb centers) during initial oxidation of a clean Si(111) surface using an ultrahigh-vacuum electron-spin-resonance technique. At the oxidation of one or two Si layer(s), the Pb center... (Read more)
- 84. Appl. Phys. Lett. 83, 1647 (2003) , “Dynamic recovery of negative bias temperature instability in p-type metal–oxide–semiconductor field-effect transistors”,An unexpected physical phenomenondynamic recovery of negative bias temperature instability (NBTI)is reported. NBTI degradation in p-type metaloxidesemiconductor field-effect transistors is significantly (by ~40%) reduced after stress interruption. NBTI recovery... (Read more)
- 85. Appl. Phys. Lett. 82, 3677-3679 (2003) , “Interface defects responsible for negative-bias temperature instability in plasma-nitrided SiON/Si(100) systems”, Shinji Fujieda, Yoshinao Miura, and Motofumi SaitohInterface defects generated by negative-bias temperature stress (NBTS) in an ultrathin plasma- nitrided SiON/Si(100) system were characterized by using D2 annealing, conductance-frequency measurements, and electron-spin resonance measurements. D2 annealing was shown to lower... (Read more)
- 86. Appl. Phys. Lett. 82, 269 (2003) , “Relationship between interfacial nitrogen concentration and activation energies of fixed-charge trapping and interface state generation under bias-temperature stress condition”,The influence of nitrogen concentration at a nitrided oxide/silicon interface on the activation energies of both near-interface fixed-charge trapping and interface state generation caused by negative bias temperature instability stress has been studied quantitatively. It is observed that the charge... (Read more)
- 87. J. Appl. Phys. 94, 7105-7111 (2003) , “Electrically detected magnetic resonance of ion-implantation damage centers in silicon large-scale integrated circuits”, T. Umeda, Y. Mochizuki, K. Okonogi, K. HamadaWe used electrically detected magnetic resonance to study the microscopic structure of ion-implantation-induced point defects that remained in large-scale Si integrated circuits (Si LSIs). Two types of defects were detected in the source/drain (n+-type) region of... (Read more)
- 88. J. Appl. Phys. 94, 1 (2003) , “Negative bias temperature instability: Road to cross in deep submicron silicon semiconductor manufacturing”,We present an overview of negative bias temperature instability (NBTI) commonly observed in p-channel metaloxidesemiconductor field-effect transistors when stressed with negative gate voltages at elevated temperatures. We discuss the results of such stress on device and circuit... (Read more)
- 89. J. Appl. Phys. 93, 9697-9702 (2003) , “Growth and characterization of GaN:Mn epitaxial films”, T. Graf, M. Gjukic, M. Hermann, M. S. Brandt, M. Stutzmann, L. Görgens, J. B. Philipp, O. AmbacherThe oxidation states of Mn in epitaxial GaN films grown by plasma induced molecular beam epitaxy were investigated by electron spin resonance (ESR), elastic recoil detection, superconducting quantum interference device magnetization, and photothermal deflection spectroscopy measurements. Comparison... (Read more)
- 90. Phys. Rev. B 68, 205201 (2003) , “Ab initio study of the migration of intrinsic defects in 3C-SiC”, Michel Bockstedte, Alexander Mattausch, and Oleg PankratovThe diffusion of intrinsic defects in 3C-SiC is studied using an ab initio method based on density functional theory. The vacancies are shown to migrate on their own sublattice. The carbon split-interstitials and the two relevant silicon interstitials, namely the tetrahedrally... (Read more)
- 91. Phys. Rev. B 68, 165206 (2003) , “EPR studies of the isolated negatively charged silicon vacancies in n-type 4H- and 6H-SiC: Identification of C3v symmetry and silicon sites”, N. Mizuochi, S. Yamasaki, H. Takizawa, N. Morishita, T. Ohshima, H. Itoh, and J. IsoyaThe isolated negatively charged silicon vacancy (VSi-" align="middle">) in the hexagonal lattices of 4H- and 6H-SiC has been studied by electron paramagnetic resonance (EPR). The local structure was suggested to have Td symmetry from the... (Read more)
- 92. Phys. Rev. B 68, 155208 (2003) , “Theoretical study of vacancy diffusion and vacancy-assisted clustering of antisites in SiC”, E. Rauls, Th. Frauenheim, A. Gali, P. DeákUsing the self-consistent-charge density-functional-based tight-binding (SCC-DFTB) method, we have investigated the migration of vacancies at high temperatures, taking into account the entropy contribution to the Gibbs free energy. We have found that the energy barrier for sublattice migration of... (Read more)
- 93. Phys. Rev. B 67, 205202 (2003) , “Formation and annealing of nitrogen-related complexes in SiC”, U. Gerstmann, E. Rauls, Th. Frauenheim, and H. OverhofWe propose a mechanism for the annealing of vacancy-related defects in SiC, based on ab initio total energy calculations. Our mechanism is based on the formation and migration of carbon and nitrogen split interstitials resulting in CSi(NC)n or... (Read more)
- 94. Phys. Rev. B 67, 193102 (2003) , “Signature of intrinsic defects in SiC: Ab initio calculations of hyperfine tensors”, Michel Bockstedte, Matthias Heid, and Oleg PankratovTo reveal the microscopic origin of the spin-resonance centers in 3C- and 4H-SiC, we perform first-principles calculations of the hyperfine tensors for vacancy-related defects and interstitials. The calculations for the silicon vacancy corroborates the earlier experimental identification. The... (Read more)
- 95. Phys. Rev. B 67, 155203 (2003) , “Correlation between the antisite pair and the DI center in SiC”, A. Gali, P. Deák, E. Rauls, N. T. Son, I. G. Ivanov, F. H. C. Carlsson, E. Janzén, and W. J. ChoykeThe DI low temperature photoluminescence center is a well-known defect stable up to 1700 °C annealing in SiC, still its structure is not yet known. Combining experimental and theoretical studies, in this paper we will show that the properties of an antisite pair can reproduce... (Read more)
- 96. Phys. Rev. B 67, 125207 (2003) , “Silicon and carbon vacancies in neutron-irradiated SiC: A high-field electron paramagnetic resonance study”, S. B. Orlinski, J. Schmidt, E. N. Mokhov, P. G. BaranovElectron-paramagnetic-resonance (EPR) and electron-spin-echo (ESE) studies have been performed that show that isolated VSi-, VSi0, and VC vacancies are the dominant intrinsic paramagnetic defects in SiC treated by room-temperature neutron... (Read more)
- 97. Phys. Rev. Lett. 91, 136101 (2003) , “Ab initio Simulations of Homoepitaxial SiC Growth”, M. C. Righi, C. A. Pignedoli, R. Di Felice, C. M. Bertoni, A. CatellaniWe present first-principle calculations on the initial stages of SiC homoepitaxial growth on the SiC(111)(×) surface. We show that the nonstoichiometric reconstruction plays a relevant role in favoring the attainment of high-quality films. The motivation is twofold: On one hand, we... (Read more)
- 98. Phys. Rev. Lett. 91, 109601 (2003) , “Comment on "Identification of Lattice Vacancies on the Two Sublattices of SiC"”, J. W. SteedsA Comment on the Letter by A. A. Rempel et al., Phys. Rev. Lett. 89, 185501 (2002). The authors of the Letter offer a Reply.... (Read more)
- 99. Phys. Rev. Lett. 90, 155901 (2003) , “Fluorine in Silicon: Diffusion, Trapping, and Precipitation”, X. D. Pi, C. P. Burrows, P. G. ColemanThe effect of vacancies on the behavior of F in crystalline Si has been elucidated experimentally for the first time. With positron annihilation spectroscopy and secondary ion mass spectroscopy, we find that F retards recombination between vacancies (V) and interstitials (I) because V and I trap F to form complexes. F diffuses in the V-rich region via a vacancy mechanism with an activation energy of 2.12±0.08 eV. After a long annealing time at 700ºC, F precipitates have been observed by cross-section transmission electron microscopy which are developed from the V-type defects around the implantation range and the I-type defects at the end of range. (Read more)
- 100. Physica B 340-342, 151 (2003) , “Optical and magnetic resonance signatures of deep levels in semi-insulating 4H SiC”, W. E. Carlos, E. R. Glaser and B. V. ShanabrookWe have studied semi-insulating (SI) 4H SiC grown by physical vapor transport (PVT) and by high-temperature chemical vapor deposition (HTCVD) using electron paramagnetic resonance (EPR) and infrared photoluminescence (IR-PL) to better understand the defect(s) responsible for the SI behavior.... (Read more)
- 101. Physica B 340-342, 15-24 (2003) , “Defects in SiC”, E. Janzén, I. G. Ivanov, N. T. Son, B. Magnusson, Z. Zolnai, A. Henry, J. P. Bergman, L. Storasta, F. CarlssonRecent results from studies of shallow donors, pseudodonors, and deep level defects in SiC are presented. The selection rules for transitions between the electronic levels of shallow donors in 4H–SiC in the dipole approximation are derived and the ionization energy for the N donor at... (Read more)
- 102. Appl. Phys. Lett. 81, 2397-2399 (2002) , “Hydrogen redistribution induced by negative-bias-temperature stress in metal–oxide–silicon diodes”, Ziyuan LiuPoly-Si/SiO2/Si diodes in which oxides were grown thermally under wet oxidation conditions and subsequently treated by a post-oxidation anneal (POA) have been characterized electrically and chemically before and after applying negative-bias-temperature stress (NBTS). It was confirmed that... (Read more)
- 103. Appl. Phys. Lett. 80, 4753-4755 (2002) , “Characterization of S centers generated by thermal degradation in SiO2 on (100)Si”, A. Stesmans, B. Nouwen, D. Pierreux, and V. V. Afanas'evThe structural degradation of thermal SiO2 on (100)Si under isochronal vacuum annealing in the range Tan = 950 °C1250 °C was monitored by electron spin resonance (ESR) in terms of point defect creation, including... (Read more)
- 104. Appl. Phys. Lett. 80, 1945-1947 (2002) , “Density of states of Pb1 Si/SiO2 interface trap centers”, J. P. Campbell and P. M. LenahanThe electronic properties of the (100) Si/SiO2 interfacial defect called Pb1 are quite controversial. We present electron spin resonance measurements that demonstrate: (1) that the Pb1 defects have levels in the silicon band gap, (2) that... (Read more)
- 105. J. Appl. Phys. 91, 8919-8941 (2002) , “Transient Enhanced Diffusion of Boron in Si”, S. C. Jain, W. Schoenmaker, R. Lindsay, P. A. Stolk, S. Decoutere, M. Willander, H. E. Maes.On annealing a boron implanted Si sample at ~800 °C, boron in the tail of the implanted profile diffuses very fast, faster than the normal thermal diffusion by a factor 100 or more. After annealing for a sufficiently long time, the enhanced diffusion saturates. The enhanced diffusion is... (Read more)
- 106. Phys. Rev. B 66, 235202 (2002) , “Continuous-wave and pulsed EPR study of the negatively charged silicon vacancy with S=3/2 and C3v symmetry in n-type 4H-SiC”, N. Mizuochi, S. Yamasaki, H. Takizawa, N. Morishita, T. Ohshima, H. Itoh, J. IsoyaThe TV2a center, which was suggested to be the excited triplet state (S=1) of the neutral silicon vacancy related defect [Sörman et al., Phys. Rev. B 61, 2613 (2000)] in the electron-irradiated n-type 4H-SiC has been studied by continuous wave and pulsed electron paramagnetic resonance... (Read more)
- 107. Phys. Rev. B 66, 155214 (2002) , “Ligand hyperfine interaction at the neutral silicon vacancy in 4H- and 6H-SiC”, Mt. Wagner, N. Q. Thinh, N. T. Son, W. M. Chen, E. Janzén, P. G. Baranov, E. N. Mokhov, C. Hallin, J. L. LindströmThe silicon vacancy in its neutral charge state (VSi) has been unambiguously identified in 4H- and 6H-SiC. This was achieved by observation of ligand hyperfine interaction with the four carbon atoms in the nearest-neighbor shell and the twelve silicon atoms in the next-nearest-neighbor... (Read more)
- 108. Phys. Rev. B 66, 024106 (2002) , “Cascade overlap and amorphization in 3C-SiC: Defect accumulation, topological features, and disordering”, F. Gao and W. J. WeberMolecular dynamics (MD) simulations with a modified Tersoff potential have been used to investigate cascade overlap, damage accumulation, and amorphization processes in 3C-SiC over dose levels comparable to experimental conditions. A large number of 10 keV displacement cascades were randomly... (Read more)
- 109. Phys. Rev. B 65, 85312 (2002) , “Magnetic resonance studies of Mg-doped GaN epitaxial layers grown by organometallic chemical vapor deposition”, E. R. Glaser, W. E. Carlos, G. C. B. Braga, J. A. Freitas Jr, W. J. Moore, B. V. Shanabrook, R.L. Henry, A. E. Wickenden, D. D. Koleske, H.Obloh, P. Kozodoy, S. P. DenBaars, U. K. MishraElectron paramagnetic resonance (EPR) and optically detected magnetic resonance (ODMR) experiments have been performed on a set of GaN epitaxial layers doped with Mg from 2.5×1018 to 5.0×1019 cm-3. The samples were also characterized by secondary-ion-mass... (Read more)
- 110. Phys. Rev. B 65, 184108 (2002) , “Alphabet luminescence lines in 4H-SiC”, T. A. G. Eberlein, C. J. Fall, R. Jones, P. R. Briddon, S. ÖbergFirst-principles density functional calculations are used to investigate antisite pairs in 4H-SiC. We show that they are likely to be formed in close proximity under ionizing conditions, and they possess a donor level and thermal stability consistent with the series of 40 photoluminescent lines... (Read more)
- 111. Phys. Rev. B 65, 085202 (2002) , “Divacancy in 3C- and 4H-SiC: An extremely stable defect”, L. Torpo, T. E. M. Staab, R. M. NieminenUsing first-principles calculations for divacancy defects in 3C- and 4H-SiC, we determine their formation energies and stability, their ionization levels, and relaxed geometries (symmetry point groups) for neutral as well as for charged states. For 4H-SiC all four possible nearest-neighbor divacancy... (Read more)
- 112. Phys. Rev. Lett. 89, 185501 (2002) , “Identification of Lattice Vacancies on the Two Sublattices of SiC”, A. A. Rempel, W. Sprengel, K. Blaurock, K. J. Reichle, J. Major, and H.-E. SchaeferThe identification of atomic defects in solids is of pivotal interest for understanding atomistic processes and solid state properties. Here we report on the exemplary identification of vacancies on each of the two sublattices of SiC by making use of (i) electron irradiation, (ii) measurements of... (Read more)
- 113. Phys. Rev. Lett. 88, 205502 (2002) , “Metastability of Amorphous Silicon from Silicon Network Rebonding”, R. Biswas, B. C. Pan, and Y. Y. YeWe propose a network rebonding model for light-induced metastability in amorphous silicon, involving bonding rearrangements of silicon and hydrogen atoms. Nonradiative recombination breaks weak silicon bonds and generates dangling bond–floating bond pairs, with very low activation energies. The... (Read more)
- 114. Appl. Phys. Lett. 79, 3950 (2001) , “Annealing behavior of vacancies and Z1/2 levels in electron-irradiated 4H–SiC studied by positron annihilation and deep-level transient spectroscopy”, A. Kawasuso, F. Redmann, R. Krause-Rehberg, M. Weidner, T. Frank, G. Pensl, P. Sperr, W. Triftshäuser, H. ItohAnnealing behavior of vacancies and the Z1/2 levels in n-type 4HSiC epilayers after 2 MeV electron irradiation has been studied using positron annihilation and deep-level transient spectroscopy. Isochronal annealing studies indicate that silicon vacancy-related defects... (Read more)
- 115. Appl. Phys. Lett. 78, 1571 (2001) , “Hydrogen Passivation and Activation of Oxygen Complexes in Silicon”, S. N. Rashkeev, M. Di Ventra, and S. T. PantelidesWe report first-principles calculations in terms of which we describe the role of hydrogen in passivating or activating oxygen complexes in Si. In particular we find that attaching H to a pre-existing oxygen cluster can change the electric activity of the cluster. Furthermore, the addition of a... (Read more)
- 116. Appl. Phys. Lett. 78, 1453-1454 (2001) , “Response to "Comment on `Do Pb1 centers have levels in the Si band gap? Spin-dependent recombination study of the Pb1 "hyperfine spectrum" ' " [Appl. Phys. Lett. 78, 1451 (2001)]”, Tetsuya D. Mishima and Patrick M. LenahanWe recently published a letter in which we utilized spin-dependent recombination (SDR) measurements to demonstrate that Pb1 centers, silicon dangling-bond defects at the (001) Si/SiO2 interface, have electronic levels in the silicon band gap.1 In their comment on our... (Read more)
- 117. J. Appl. Phys. 90, 6026-6031 (2001) , “Oxygen-Related Defects in Low-Dose Separation-by-Implanted Oxygen Wafers Probed by Monoenergetic Positron Beams”, A. Uedono, Z. Q. Chen, A. Ogura, H. Ono, R. Suzuki, T. Ohdaira, T. Mikado.The depth distributions of oxygen-related defects in separation-by-implanted oxygen wafers were determined from measurements of Doppler broadening spectra of the annihilation radiation. Vacanyoxygen complexes were introduced by implanting 180-keV oxygen at (26)×1017 ... (Read more)
- 118. J. Appl. Phys. 90, 3377 (2001) , “Vacancies and deep levels in electron-irradiated 6H SiC epilayers studied by positron annihilation and deep level transient spectroscopy”, A. Kawasuso, F. Redmann, R. Krause-Rehberg, T. Frank, M. Weidner, G. Pensl, P. Sperr, H. ItohThe annealing behavior of defects in n-type 6H SiC epilayers irradiated with 2 MeV electrons have been studied using positron annihilation and deep level transient spectroscopy. Vacancy-type defects are annealed at 500700 °C and 12001400 °C. From the analysis of... (Read more)
- 119. J. Phys.: Condens. Matter 13, L1-L7 (2001) , “Identification of the Tetra-Interstitial in Silicon”, B. J. Coomer, J. P. Goss, R. Jones, S. Öberg, P. R. Briddon.First-principles computational methods are employed to investigate the structural, vibrational, optical and electronic properties of the self-interstitial aggregate, I4 in silicon. We find the defect to be electrically active and identify it with the B3 EPR centre. We... (Read more)
- 120. J. Phys.: Condens. Matter 13, 6203-6231 (2001) , “Comprehensive ab initio study of properties of monovacancies and antisites in 4H-SiC”, L. Torpo, M. Marlo, T. E. M. Staab, R. M. NieminenWe present results of ab initio calculations for the electronic and atomic structures of monovacancies and antisite defects in 4H-SiC in all possible charge states. The calculations make use of a plane-wave pseudopotential method based on density-functional theory and the local spin-density... (Read more)
- 121. Jpn. J. Appl. Phys. 40, 2840 (2001) , “Spin-Dependent Trap-Assisted Tunneling Current in Ultra-Thin Gate Dielectrics”,We have characterized the leakage current paths of ultra-thin gate dielectrics using spin-dependent tunneling (SDT) spectroscopy. A spin-dependent current was detected in metal-oxide-semiconductor diodes with chemical-vapor-deposition SiN gate films with thickness less than 3 nm. We examined the nature of the trap sites in terms of g-value, bias-dependent signal intensity, and magnetic-field orientation dependence. The main feature of the observed spectrum is attributed to a paramagnetic Si site in the SiN films. By using a quantitative model of electron spin-polarization, we were able to estimate the ratio of trap-assisted current to the total leakage current. (Read more)
- 122. Phys. Rev. B 64, 245212 (2001) , “Structure of the silicon vacancy in 6H-SiC after annealing identified as the carbon vacancy-carbon antisite pair”, Th. Lingner, S. Greulich-Weber, J.-M. Spaeth, U. Gerstmann, E. Rauls, Z. Hajnal, Th. Frauenheim, H. OverhofWe investigated radiation-induced defects in neutron-irradiated and subsequently annealed 6H-silicon carbide (SiC) with electron paramagnetic resonance (EPR), the magnetic circular dichroism of the absorption (MCDA), and MCDA-detected EPR (MCDA-EPR). In samples annealed beyond the annealing... (Read more)
- 123. Phys. Rev. B 64, 245208 (2001) , “Ab initio and empirical-potential studies of defect properties in 3C-SiC”, Fei Gao, Eric J. Bylaska, William J. Weber, L. René CorralesDensity functional theory (DFT) is used to study the formation and properties of native defects in 3C-SiC. Extensive calculations have been carried out to determine the formation of point defects and the stability of self-interstitials. Although there is good agreement in the formation of vacancies... (Read more)
- 124. Phys. Rev. B 64, 085206 (2001) , “Electronic structure of the N donor center in 4H-SiC and 6H-SiC”, A. v. Duijn-Arnold, R. Zondervan, J. Schmidt, P. G. Baranov, E. N. MokhovIn this paper, we present high-frequency (95 GHz) pulsed electron paramagnetic resonance (EPR) and electron nuclear double resonance (ENDOR) measurements on the nitrogen (N) donor in 4H-SiC (k site) and 6H-SiC (h, k1, and k2 sites according to the accepted classification). From... (Read more)
- 125. Phys. Rev. B 63, 245202 (2001) , “Ab initio density-functional supercell calculations of hydrogen defects in cubic SiC”, B. Aradi, A. Gali, P. Deák, J. E. Lowther, N. T. Son, E. Janzén, W. J. ChoykeBased on ab initio density-functional calculations in supercells of 3C-SiC, the stable configurations of hydrogen and dihydrogen defects have been established. The calculated formation energies are used to give semiquantitative estimates for the concentration of hydrogen in SiC after chemical vapor... (Read more)
- 126. Phys. Rev. B 63, 165204 (2001) , “g values of effective mass donors in AlxGa1-xN alloys”, M. W. Bayerl, M. S. Brandt, T. Graf, O. Ambacher, J. A. Majewski, M. Stutzmann, D. J. As, K. LischkaElectron spin resonance experiments were performed on Si-doped wurtzite and zinc-blende GaN and Si-doped wurtzite AlxGa1-xN alloys with x=0.15, 0.32, 0.52, 0.75, and 1. For zinc-blende GaN, an isotropic g factor of 1.9475 is found. The g tensors of the silicon effective mass... (Read more)
- 127. Phys. Rev. Lett. 87, 235501 (2001) , “Thermal Double Donors and Quantum Dots”, J. Coutinho, R. Jones, L. I. Murin, V. P. Markevich, J. L. Lindström, S. Öberg, P. R. Briddon.Combined local mode spectroscopy and ab initio modeling are used to demonstrate for the first time that oxygen atoms in thermal double donors (TDD) in Si are in close proximity. The observed vibrational modes in 16O, 18O, and mixed isotopic samples are consistent with a model... (Read more)
- 128. Phys. Rev. Lett. 86, 5522-5525 (2001) , “E' Centers in Amorphous SiO2 Revisited: A New Look at an Old Problem”, T. Uchino, M. Takahashi, T. YokoWe present theoretical evidence that the paramagnetic E? defect centers in amorphous silicon dioxide ( a-SiO2) do not have the same microscopic structures as those well-defined in the corresponding crystalline counterparts such as ?-quartz. We then present alternative models of... (Read more)
- 129. Phys. Rev. Lett. 86, 4560-4563 (2001) , “Structure and Generation Mechanism of the Peroxy-Radiacal Defect in Amorphous Silica”, T. Uchino, M. Takahashi, and T. YokoWe provide a new model of the peroxy-radical defect in amorphous silica on the basis of quantum-chemical calculations applied to clusters of atoms to model the defect. In this model, the 29Si hyperfine splittings of the peroxy radical arise from a single silicon, in agreement with the... (Read more)
- 130. Phys. Rev. Lett. 86, 1054 (2001) , “Electron Spin Resonance Observation of the Si(111)- (7×7) Surface and Its Oxidation Process”, Takahide Umeda, Masayasu Nishizawa, Tetsuji Yasuda, Junichi Isoya, Satoshi Yamasaki, and Kazunobu TanakaElectron spin resonance (ESR) observation of dangling-bond states on the Si(111)- (7×7) surface is demonstrated for the first time. The ESR spectra clearly show that a reaction of molecular oxygen with the Si(111)- (7×7) surface is associated with the appearance of a new dangling-bond center at... (Read more)Si SiO2| EPR STM/AFM/SPM| Oxygen Pb Ps0 Ps1 Silicon dangling-bond interface surface .inp files: Si/surface(111) | last update: Masatoshi Sasaki
- 131. Physica B 308-310, 637 (2001) , “Calculation of hyperfine parameters of positively charged carbon vacancy in SiC”, T. T. Petrenko, T. L. Petrenko, V. Ya. Bratus and J. L. MongeTheoretical simulation of hyperfine parameters for the nearest and next-nearest neighbor atoms of VC+ in SiC has been performed for the cubic and hexagonal clusters. The gradient-corrected all-electron DFT calculations with Becke's three-parameter functional have been performed by the use of split... (Read more)
- 132. Physica B 308-310, 51-57 (2001) , “Magnetic resonance studies of defects in GaN with reduced dislocation densities”, E. R. Glaser, J. A. Freitas, Jr. , G. C. Braga, W. E. Carlos, M. E. Twigg, A. E. Wickenden, D. D. Koleske, R. L. Henry, M. Leszczynski, I. Grzegory, T. Suski, S. Porowski, S. S. Park, K. Y. Lee and R. J. MolnarMagnetic resonance experiments, including optically detected magnetic resonance (ODMR) and electron paramagnetic resonance (EPR), have been performed on Si-doped homoepitaxial GaN layers grown by MOCVD and on high quality, free-standing (200 μm-thick) GaN grown by HVPE. This allowed us to... (Read more)
- 133. Physica B 302-303, 249-256 (2001) , “Hydrogen-Enhanced Clusterization of Intrinsic Defects and Impurities in Silicon”, B. N. Mukashev, Kh. A. Abdullin, Yu. V. Gorelkinskii, M. F. Tamendarov and S. Zh. TokmoldinFormation of intrinsic and impurity defect complexes in hydrogenated monocrystalline silicon is studied. Hydrogen was incorporated into samples by different ways: either by proton implantation at 80 and 300 K, or by annealing at 1250°C for 30–60 min in a sealed quartz ampoule containing... (Read more)
- 134. Thin Solid Films 395, 266-269 (2001) , “Charge-trapping defects in Cat-CVD silicon nitride films”, T. Umeda, Y. Mochizuki, Y. Miyoshi and Y. NashimotoWe show that Cat-CVD silicon nitride films contain more than 1019 cm−3 nitrogen-bonded Si dangling bonds, similarly to the case for conventional CVD films. However, the charge-trapping behavior of the Cat-CVD films is found to be quite different, in spite of the same origin for the dominant... (Read more)
- 135. Appl. Phys. Lett. 76, 3771-3773 (2000) , “Do Pb1 centers have levels in the Si band gap? Spin-dependent recombination study of the Pb1 "hyperfine spectrum"”, Tetsuya D. Mishima and Patrick M. LenahanThe electronic properties of the (001) Si/SiO2 Pb1 defect are the subject of considerable controversy. We present spin-dependent recombination results which indicate most strongly that the Pb1 centers have levels in the Si band gap. Our... (Read more)
- 136. J. Appl. Phys. 88, 1784-1787 (2000) , “Electron Spin Resonance Centers Associated with Oxygen Precipitates in Czochralski Silicon Crystals”, M. Koizuka, H. Yamada-Kaneta.We have previously concluded that the oxygen-precipitate-associated defects that we identified by the deep levels at Ev + 0.30 eV and Ec0.25 eV were the Pb centers generated in the interface between the oxygen... (Read more)
- 137. J. Phys.: Condens. Matter 12, 3369 (2000) , “Local electronic structure around vacancies and vacancy-antisite complexes in ?-SiC”, G. Cubiotti, Yu. Kucherenko, A. Yaresko, A. Perlov, V. AntonovThe local electronic structure around vacancies and vacancy-antisite complexes in cubic SiC has been calculated by means of the LMTO (linear muffin-tin orbital) method and the supercell approach. In order to improve the description of the electronic structure near the energy gap, the... (Read more)
- 138. Mater. Sci. Eng. B 73, 60-63 (2000) , “EPR study of He-implanted Si”, B. Pivac, B. Rakvin, R. Tonini, F. Corni and G. OttavianiElectron paramagnetic resonance has been used to study the influence of thermal treatments on defect evolution in helium-implanted Czochralski single-crystal silicon. It is shown that the thermal treatment induces helium migration and capturing by vacancy clusters that transform into pressurized... (Read more)
- 139. Mater. Sci. Eng. B 71, 249 (2000) , “New (S=1) EPR AA17 center in silicon — microplatelets or precursor of platelets?”, Yu. V. Gorelkinskii, Kh. A. Abdullin, B. N. Mukashev.New (S=1) EPR spectrum (labeled Si-AA17) is observed in irradiated high-purity hydrogen-contained silicon after annealing at ≥200°C. The AA17 defect has D3d symmetry with g=2.0028, g=2.0106; A(29Si)=175.0 MHz, A=89.0 MHz; and D=±33.6 MHz, D=±16.8 MHz. It is paramagnetic in a... (Read more)
- 140. Nucl. Instrum. Methods Phys. Res. B 170, 125-133 (2000) , “Electron Paramagnetic Resonance Study of S2 Defects in Hydrogen-Implanted Silicon”, B. Rakvin, B. Pivac, R. Tonini, F. Corni and G. OttavianiElectron paramagnetic resonance spectra of S2 paramagnetic center in Float zone silicon (FZ-Si) and Czochralski silicon (CZ-Si) produced by H+2 ion-implantation and by subsequent annealing have been studied. At room temperature the spectrum exhibits an isotropic line g=2.0066±0.0002, which,... (Read more)
- 141. Phys. Rev. B 62, 8016 (2000) , “Isochronal annealing studies of n-type 6H-SiC with positron lifetime spectroscopy”, C. C. Ling, C. D. Beling, S. Fungn-type 6H silicon carbide has been studied using positron lifetime spectroscopy with isochronal annealing temperatures of 400, 650, 900, 1200, and 1400 °C. In the as-grown sample, we have identified the VSi vacancy, the VCVSi divacancy, and probably the VC... (Read more)
- 142. Phys. Rev. B 62, 6854 (2000) , “Spin state of vacancies: From magnetic Jahn-Teller distortions to multiplets”, A. Zywietz, J. Furthmüller, and F. BechstedtThe spin configuration of isoelectronic vacancies surrounded by first-row atoms is studied within density-functional theory (DFT) using the local spin density approximation. Allowing for a symmetry break in the electronic system, a mixed-spin state is found to be lowest in energy. It is accompanied... (Read more)
- 143. Phys. Rev. B 62, 15702 (2000) , “Microscopic origin of light-induced ESR centers in undoped hydrogenated amorphous silicon”, Takahide Umeda, Satoshi Yamasaki, Junichi Isoya, and Kazunobu Tanaka29Si hyperfine (hf) structures of light-induced electron-spin-resonance (LESR) centers of g=2.004 and 2.01 have been investigated in undoped hydrogenated amorphous silicon (a-Si:H) with different 29Si content (1.6, 4.7,9.1 at. %) by means of pulsed and multifrequency (3,11,34... (Read more)Si| EPR| Boron Silicon amorphous band-tail n-type p-type .inp files: Si/band-tail | last update: Takahide Umeda
- 144. Phys. Rev. B 62, 10841 (2000) , “Vacancy defects in p-type 6H-SiC created by low-energy electron irradiation”, H. J. von Bardeleben, J. L. Cantin, L. Henry, M. F. BartheThe intrinsic defects in p-type 6H-SiC:Al generated by electron irradiation at 300 keV, which is close to the threshold of the silicon atom displacement, have been studied by electron paramagnetic resonance spectroscopy. We observed two dominant irradiation-induced paramagnetic defects:?(i) a... (Read more)
- 145. Phys. Rev. B 62, 10126 (2000) , “Proton-implantation-induced defects in n-type 6H- and 4H-SiC: An electron paramagnetic resonance study”, H. J. von Bardeleben, J. L. Cantin, I. Vickridge, G. BattistigThe microscopic structure and introduction rate of point defects in n-type 6H- and 4H-SiC generated by room-temperature proton implantation have been studied by the electron paramagnetic resonance technique. In order to selectively study the effects of defect introduction in the trace region, 12-MeV... (Read more)
- 146. Phys. Rev. B 61, 8393-8403 (2000) , “Dissociation Kinetics of Hydrogen-Passivated Pb Defects at the (111)Si/SiO2 Interface”, A. Stesmans.An electron-spin-resonance study has been carried out, both isothermally and isochronically, of the recovery under vacuum annealing from the hydrogen passivated state (symbolized as HPb) of paramagnetic Pb centers (Si3?Si•) at the (111)Si/SiO2... (Read more)
- 147. Phys. Rev. B 61, 4659-4666 (2000) , “Identification of the Oxygen-Vacancy Defect Containing a Single Hydrogen Atom in Crystalline Silicon”, P. Johannesen, B. Bech Nielsen, J. R. Byberg.Float-zone and Czochralski-grown silicon crystals have been implanted with protons or deuterons at ?50 K. Electron paramagnetic resonance measurements reveal a new signal in the spectrum of the Czochralski-grown (oxygen-rich) material. This signal is strongly temperature dependent, displaying a... (Read more)
- 148. Phys. Rev. B 61, 2657 (2000) , “Divacancy-Tin Complexes in Electron-Irradiated Silicon Studied by EPR”, M. Fanciulli, J. R. Byberg.n- and p-type float-zone silicon containing 1018-cm-3 tin were irradiated with 2 MeV electrons to a dose of 1018 cm-2 and subsequently examined by electron paramagnetic resonance (EPR). The p-type material yields only the well-known Si-G29 signal due to... (Read more)
- 149. Phys. Rev. B 61, 16068-16076 (2000) , “Dipolar interactions between unpaired Si bonds at the (111)Si/SiO2 interface”, A. Stesmans, B. NouwenAn electron spin resonance (ESR) study has been carried out on the Pb centers (interfacial ?Si?Si3) in standard thermal (111)Si/SiO2, of which, in the as-grown state, a density 4.9×1012 cm-2 is inherently incorporated. The Pb density... (Read more)
- 150. Phys. Rev. B 61, 13655 (2000) , “Intravacancy transition energies in 3C- and 4H-SiC”, A. Zywietz, J. Furthmüller, F. BechstedtSpin-polarized ab initio calculations are used to determine energy differences between ground and excited states of silicon and carbon vacancies in 3C- and 4H-SiC. The calculated transition energies are compared with recent findings from photoluminescence and magnetic-resonance experiments. (Read more)
- 151. Phys. Rev. B 61, 12602 (2000) , “Phosphorus-related deep donor in SiC”, A. Gali, P. Deák, P. R. Briddon, R. P. Devaty, W. J. ChoykeTwo phosphorus centers in SiC, an isolated P atom substituting for Si (PSi) and a Si-site P-atom adjacent to a carbon vacancy (PSi+VC) are investigated by first principle calculations. It is shown that PSi+VC produces a singly occupied donor... (Read more)
- 152. Phys. Rev. Lett. 85, 2773-2776 (2000) , “Dangling Bond Defects at Si-SiO2 Interfaces: Atomic Structure of the Pb1 Center”, A. Stirling, A. Pasquarello, J.-C. Charlier, R. CarUsing a first-principles approach, we characterize dangling bond defects at Si-SiO2 interfaces by calculating hyperfine parameters for several relaxed structures. Interface models, in which defect Si atoms remain close to crystalline sites of the substrate upon relaxation, successfully... (Read more)
- 153. Phys. Rev. Lett. 85, 2324-2327 (2000) , “Fast Diffusion of H and Creation of Dangling Bonds in Hydrogenated Amorphous Silicon Studied by in situ ESR”, U. K. Das, T. Yasuda, and S. YamasakiThe interaction of atomic hydrogen with a-Si:H films was studied by means of in situ ESR during H plasma treatment. H diffuses into the a-Si:H film and creates additional Si dangling bonds (∼1013 cm -2). We observed a high diffusion coefficient (>10-10  cm... (Read more)
- 154. Mater. Sci. Eng. B 61-62, 593 (1999) , “Electronic structure of the anti-structure pair in 3C–SiC”, L. Torpo and R. M. NieminenWe have studied the anti-structure pair (adjacent carbon CSi and silicon SiC antisites) in 3C–SiC using the plane–wave pseudopotential method. We report results for the formation energies, the ionization levels and the geometry of the relaxed structures of the defect in all its... (Read more)
- 155. Mater. Sci. Eng. B 58, 171-178 (1999) , “Self-Interstitial Related Reactions in Silicon Irradiated by Light Ions”, B. N. Mukashev, Kh. A. Abdullin, Yu. V. Gorelkinskii and S. Zh. TokmoldinRecent deep level transient spectroscopy (DLTS), electron paramagnetic resonance (EPR) and infrared (IR) spectroscopy data on interactions of self-interstitial with carbon, aluminium, oxygen and hydrogen in silicon irradiated by light ions are reviewed. Self-interstitial behaviour in silicon was... (Read more)
- 156. Phys. Rev. B 59, 4849 (1999) , “Electron-spin-resonance center of dangling bonds in undoped a-Si:H”, T. Umeda, S. Yamasaki, J. Isoya, K. Tanaka.A variety of electron-spin-resonance (ESR) spectra of dangling bond (g=2.0055) in undoped hydrogenated amorphous silicon (a-Si:H) have been measured by the echo-detected ESR of pulsed ESR as well as the usual continuous-wave (cw) ESR for a wide range of two experimental parameters of microwave... (Read more)
- 157. Phys. Rev. B 59, 15166 (1999) , “Vacancies in SiC: Influence of Jahn-Teller distortions, spin effects, and crystal structure”, A. Zywietz, J. Furthmüller, and F. BechstedtWe present results of first-principles calculations for the neutral and charged Si and C monovacancies in cubic (3C) and hexagonal (4H) SiC. The calculations are based on the density functional theory in the local-density approximation as well as local spin density approximation. Explicitly a... (Read more)
- 158. Phys. Rev. B 59, 10823-10829 (1999) , “Defect energy levels in electron-irradiated and deuterium-implanted 6H silicon carbide”, M. O. Aboelfotoh, J. P. DoyleUsing deep-level transient spectroscopy, we studied defect energy levels and their annealing behavior in nitrogen-doped 6H-SiC epitaxial layers irradiated with 2-MeV electrons and implanted with 300-KeV deuterium or hydrogen at room temperature. Five levels located at Ec-0.34,... (Read more)
- 159. Phys. Rev. B 59, 10603 (1999) , “Defect characterization in electron-irradiated 6H-SiC by positron annihilation”, A. Polity, S. Huth, M. LausmannIsochronal annealing investigations in electron-irradiated 6H-SiC were correlated with temperature-dependent measurements of positron lifetime. It turned out that the positron trapping at temperatures up to 300 K was dominated by the trapping in shallow positron traps. These defects were already... (Read more)
- 160. Phys. Rev. Lett. 83, 372 (1999) , “Hydrogen Electrochemistry and Stress-Induced Leakage Current in Silica”, Peter E. Blöchl and James H. StathisHydrogen-related defects in oxygen-deficient silica, representing the material of a thermal gate oxide, are analyzed using first-principles calculations. Energetics and charge-state levels of oxygen vacancies, hydrogen, and their complexes in the silica framework are mapped out. The neutral hydrogen... (Read more)
- 161. phys. stat. sol. (b) 210, 13 (1999) , “Neutral Vacancies in Group-IV Semiconductors”, A. Zywietz, J. Furthmüller, F. BechstedtAb initio plane-wave-supercell calculations are performed for the neutral monovacancies in silicon, silicon carbide and diamond using ultrasoft non-normconserving Vanderbilt pseudopotentials. We study the structure, the energetics and the single-particle energy spectrum. The local symmetry, the... (Read more)
- 162. Physica B 273-274, 1015 (1999) , “Electron spin resonance study of the interaction of hydrogen with the (1 1 1)Si/SiO2 interface: Pb-hydrogen interaction kinetics”, A. Stesmans.The thermal interaction kinetics of interfacial Si dangling bond Pb defects (Si3≡Si·) in (1 1 1)Si/SiO2, including passivation in molecular hydrogen (pictured as PbH formation) and dissociation in vacuum, is readdressed. An initial simple thermal model had concluded simple exponential... (Read more)
- 163. Semicond. Sci. Technol. 14, 1141 (1999) , “Optically detected magnetic resonance studies of intrinsic defects in 6H-SiC”, N. T. Son, P. N. Hai, Mt. Wagner, W. M. Chen, A. Ellison, C. Hallin, B. Monemar, E. Janzén
- 164. Appl. Phys. A 67, 209 (1998) , “Silicon vacancies in 3C-SiC observed by positron lifetime and electron spin resonance”, A. Kawasuso, H. Itoh, N. Morishita, M. Yoshikawa, T. Ohshima, I. Nashiyama, S. Okada, H. Okumura, S. YoshidaPositron lifetime and electron spin resonance (ESR) measurements were performed for 1-MeV electronirradiated cubic silicon carbide (3C-SiC). From a comparison of the annealing behaviors of positron lifetime and ESR signal, we identified the annihilation of positrons localized at single-negative silicon vacancies. The positron lifetime at silicon vacancies was first determined experimentally to be 188|±|4 ps. This value agrees well with the theoretical positron lifetime for silicon vacancies [G. Brauer et al. Phys. Rev. B 54, 2512 (1996)]. The trapping coefficient of singlenegative silicon vacancies was also derived. (Read more)
- 165. J. Appl. Phys. 83, 2449-2457 (1998) , “Electron spin resonance features of interface defects in thermal (100)Si/SiO2”, A. Stesmans and V. V. Afanas'evElectron spin resonance (ESR) on thermal (100)Si/SiO2 predominantly exhibiting either the Pb0 or Pb1 interface defect confirms the Pb1 point symmetry as monoclinic-I with g1 = 2.0058,... (Read more)
- 166. J. Non-Cryst. Solids 239, 16-48 (1998) , “Optically active oxygen-deficiency-related centers in amorphous silicon dioxide”, Linards SkujaThe spectroscopic properties, structure and interconversions of optically active oxygen-deficiency-related point defects in vitreous silica are reviewed. These defects, the E′-centers (oxygen vacancies with a trapped hole or 3-fold-coordinated silicons), different variants of diamagnetic... (Read more)GeO2 SiO2| EPR PL gamma-irradiation optical-spectroscopy| 0.5-1.0eV 1.0eV~ 1H 2.0eV~ 3.0eV~ 4.0eV~ 5.0eV~(larger) Chlorine E' E'-alpha E'-betha E'-delta E'-gamma Germanium H(I) H(II) Hydrogen ODC ODC(I) ODC(II) OHC Oxygen POR Silicon amorphous dangling-bond dielectric interstitial pair(=2) surface triplet vacancy | last update: Takahide Umeda
- 167. J. Vac. Sci. Technol. B 16, 2134-2153 (1998) , “What can electron paramagnetic resonance tell us about the Si/SiO2 system?”, P. M. Lenahan, J. F. Conley, Jr.Electron paramagnetic resonance (EPR) measurements of Si/SiO2 systems began over 30 years ago. Most EPR studies of Si/SiO2 systems have dealt with two families of defects: Pb centers and E centers. Several variants from each group have... (Read more)BPSG PSG Si SiO2| EDMR EPR electric-field-effect electrical-meas. etching gamma-irradiation| 10B 11B 1H 29Si 2D 31P BOHC Boron Deuterium E' E'-delta H(I) Hydrogen Nb Nitrogen Oxygen P1 P2 P4 POHC Pb Pb0 Pb1 Phosphorus Silicon amorphous complex(=3) dangling-bond device dielectric interface pair(=2) | last update: Takahide Umeda
- 168. Mater. Sci. Eng. B 54, 38-42 (1998) , “Detection and analysis of 29Si hyperfine structures in ESR spectra of E′ and E′-type centers in SiO2 glasses”, M. Mizuguchi, H. Hosono, H. KawazoeFour sets of ESR doublets with splittings of 9, 23, 26 or 44 mT were observed in dry a-SiO2 (Type IV, OH concentrations1017 cm−3) implanted with 29Si+ to a fluence of 6×1016 cm−2 at 160 keV. These doublets were attributed to the hyperfine structures due to a 29Si nucleus of... (Read more)
- 169. Nature 396, 58-60 (1998) , “Interface structure between silicon and its oxide by first-principles molecular dynamics”, A. Pasquarello, M. S. Hybertsen, R. CarThe requirement for increasingly thin (<50 Ã…) insulating oxide layers in silicon-based electronic devices highlights the importance of characterizing the Si–SiO2 interface structure at the atomic scale. Such a characterization relies to a large extent on an understanding of the atomic-scale mechanisms that govern the oxidation process. The widely used Deal–Grove model invokes a two-step process in which oxygen first diffuses through the amorphous oxide network before attacking the silicon substrate, resulting in the formation of new oxide at the buried interface1. But it remains unclear how such a process can yield the observed near-perfect interface2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12. Here we use first-principles molecular dynamics13, 14, 15 to generate a model interface structure by simulating the oxidation of three silicon layers. The resulting structure reveals an unexpected excess of silicon atoms at the interface, yet shows no bonding defects. Changes in the bonding network near the interface occur during the simulation via transient exchange events wherein oxygen atoms are momentarily bonded to three silicon atoms — this mechanism enables the interface to evolve without leaving dangling bonds. (Read more)
- 170. Nucl. Instrum. Methods Phys. Res. B 141, 566-574 (1998) , “Defect formation in amorphous SiO2 by ion implantation: Electronic excitation effects and chemical effects”, H. Hosono, N. MatsunamiIntrinsic defect formation in amorphous (a-) SiO2 by ion implantation was examined with emphasis upon electronic excitation effects and chemical reaction effects. 10 MeV proton beam and boron beam irradiated silica platelets to examine electronic excitation effects and chemical reaction effects. In... (Read more)
- 171. Phys. Rev. B 58, 9845 (1998) , “Theory of Carbon-Carbon Pairs in Silicon”, R. B. Capaz, A. Dal Pino, Jr., J. D. Joannopoulos.Interstitial-substitutional carbon pairs (CiCs) in silicon display interesting metastable behavior associated with two different structural configurations. In this work, we perform extensive ab initio calculations on this system. Our results show the following. (i) The... (Read more)
- 172. Phys. Rev. B 58, 15801-15809 (1998) , “Pb1 interface defect in thermal (100)Si/SiO2: 29Si hyperfine interaction”, A. Stesmans, B. Nouwen, V. V. Afanas’evAn optimized electron spin resonance study has resulted in the observation of the full angular dependence of the hyperfine interaction spectrum associated with the unpaired electron of the Pb1 point defect at the thermal (100)Si/SiO2 interface, showing that the dominant... (Read more)
- 173. Phys. Rev. B 57, 6243 (1998) , “Antisites in silicon carbide”, L. Torpo, S. Pöykkö, and R. M. NieminenTen years ago, deep-level-transient-spectroscopy (DLTS) signals, assigned to centers labeled as H1, H2, H3, and E2, have been detected in neutron-irradiated 3C SiC. The H centers were believed to be the primary point defects and the E2 center a secondary defect, which forms after the H centers start... (Read more)
- 174. phys. stat. sol. (a) 168, 73 (1998) , “Self-Interstitials in Silicon Irradiated with Light Ions”, B. N. Mukashev, Kh. A. Abdullin, Yu. V. Gorelkinskii.The behavior of self-interstitials in silicon which was irradiated with light ions (protons and -particles) and electrons was explored by monitoring known impurity interstitial centers (Ci, Ali, (Si-O)i) with deep level transient spectroscopy (DLTS) and electron... (Read more)
- 175. phys. stat. sol. (b) 210, 13 (1998) , “Neutral Vacancies in Group-IV Semiconductors”, A. Zywietz, J. Furthmüller, F. BechstedtAb initio plane-wave-supercell calculations are performed for the neutral monovacancies in silicon, silicon carbide and diamond using ultrasoft non-normconserving Vanderbilt pseudopotentials. We study the structure, the energetics and the single-particle energy spectrum. The local symmetry, the... (Read more)
- 176. Appl. Phys. Lett. 70, 1137 (1997) , “In situ electron-spin-resonance measurements of film growth of hydrogenated amorphous silicon”, Satoshi Yamasaki, Takahide Umeda, Junichi Isoya, and Kazunobu TanakaIn situ electron-spin-resonance (ESR) measurements of film growth of hydrogenated amorphous silicon (a-Si:H) using a remote hydrogen plasma technique have been performed. The Si dangling-bond signal in a-Si:H during and after deposition has been detected, in addition to the... (Read more)
- 177. Phys. Rev. B 56, 7384 (1997) , “Negatively charged Si vacancy in 4H SiC: A comparison between theory and experiment”, T. Wimbauer, B. K. Meyer, A. Hofstaetter, A. Scharmann, H. OverhofWe use electron paramagnetic resonance and electron nuclear double resonance to identify the negatively charged Si vacancy in neutron-irradiated 4H SiC. The identification is based on resolved ligand hyperfine interactions with carbon and silicon nearest and next nearest neighbors and on the... (Read more)
- 178. Phys. Rev. B 55, 2863 (1997) , “Optically detected magnetic resonance studies of defects in electron-irradiated 3C SiC layers”, N. T. Son, E. Sörman, W. M. Chen, C. Hallin, O. Kordina, B. Monemar, and E. JanzénDefects in electron-irradiated 3C SiC were studied by optically detected magnetic resonance (ODMR). In addition to the isotropic L2 center previously reported, an ODMR spectrum labeled L3, with a trigonal symmetry and an effective electron spin S=1, was observed after annealing at ?750 °C. The g... (Read more)
- 179. Phys. Rev. Lett. 79, 1507 (1997) , “Identification of the Silicon Vacancy Containing a Single Hydrogen Atom by EPR”, B. Bech Nielsen, P. Johannesen, P. Stallinga, K. Bonde Nielsen
- 180. phys. stat. sol. (a) 162, 95-151 (1997) , “EPR and ENDOR Investigations of Shallow Impurities in SiC Polytypes”, S. Greulich-WeberInvestigations of nitrogen donors in 6H-, 4H- and 3C-SiC using conventional electron paramagnetic resonance (EPR), electron nuclear double resonance (ENDOR) and optical detection of EPR and ENDOR as well as optical absorption and emission spectroscopy are reviewed and critically discussed. An... (Read more)
- 181. Mater. Sci. Eng. B 36, 77 (1996) , “New Oxygen-Related EPR Spectra in Proton-Irradiated Silicon”, Kh. A. Abdullin, B. N. Mukashev, A. M. Makhov and Yu. V. GorelkinskiiAn electron-paramagnetic resonance (EPR) study of proton-irradiated silicon has revealed two new EPR spectra labeled Si-AA13 and Si-AA14. Spectrum AA13 has C3v symmetry (g = 1.9985 and g = 2.0024 ± 0.0002), AA14 C1 symmetry. These spectra correspond to positive (B+) and negative (B−)... (Read more)
- 182. Phys. Rev. Lett. 77, 4600 (1996) , “Electronic Structure of Band-Tail Electrons in a Si:H”, T. Umeda, S. Yamasaki, J. Isoya, A. Matsuda, and K. TanakaElectronic structures of the light-induced electron spin resonance (LESR) centers in undoped a-Si:H have been investigated by means of pulsed ESR techniques. Overlapping LESR signals of g = 2.004 and 2.01 have been experimentally deconvoluted by using the difference in spin-lattice relaxation time... (Read more)Si| EPR| Silicon amorphous band-tail n-type p-type .inp files: Si/band-tail | last update: Takahide Umeda
- 183. J. Appl. Phys. 77, 837 (1995) , “Photoluminescence of radiation induced defects in 3C-SiC epitaxially grown on Si”, Hisayoshi Itoh, Masahito Yoshikawa, Isamu Nashiyama, Hajime Okumura, Shunji Misawa, Sadafumi YoshidaPhotoluminescence (PL) has been used to study defects introduced by 1-MeV-electron irradiation in cubic silicon carbide (3C-SiC) films epitaxially grown on Si substrates by means of chemical vapor deposition. A dominant PL line of 1.913 eV observed in 3C-SiC irradiated with electrons was found to... (Read more)
- 184. Phys. Rev. B 51, 1928 (1995) , “Carbon and silicon vacancies in electron-irradiated 6H-SiC”, S. Dannefaer, D. Craigen, D. KerrPositron-lifetime and Doppler-broadening spectroscopies were used to investigate vacancies formed by 2.2- and 10-MeV electrons. Carbon vacancies yield a positron lifetime of 160 ps, only 15 ps longer than the bulk lifetime, and the Doppler-broadening S parameter is very close to that for the bulk.... (Read more)
- 185. J. Non-Cryst. Solids 179, 39-50 (1994) , “Paramagnetic resonance of E′-type centers in Si-implanted amorphous SiO2. Si29 hyperfine structure and characteristics of Zeeman resonances*1”, H. Hosono, H. Kawazoe, K. Oyoshi, S. TanakaElectron paramagnetic resonance spectra were measured on SiO2 glasses implanted with Si ions to a fluence of 6 × 1016 cm−2 at an acceleration voltage of 160 kV. Three sets of doublets with different separation were observed in Si29-implanted substrates and were ascribed to primary... (Read more)
- 186. Phys. Rev. Lett. 72, 2745-2748 (1994) , “Atomic Hydrogen Reactions with Pb Centers at the (100) Si/SiO2 Interface”, J. H. Stathis, E. CartierWe have investigated the reaction of atomic hydrogen with defects at the (100) Si/SiO2 interface. Similar to previous results on the (111) interface, we find that the two paramagnetic defects at the (100) interface, Pb0 and Pb1, are either passivated or produced by... (Read more)
- 187. Phys. Rev. B 48, 2418-2435 (1993) , “Structural relaxation of Pb defects at the (111)Si/SiO2 interface as a function of oxidation temperature: The Pb-generation-stress relationship”, A. StesmansElectron-spin-resonance (ESR) studies of intrinsic Pb defects at the (111)Si/SiO2 interface have been carried out as a function of oxidation temperature Tox for the range 22<ToxTox and high-Tox... (Read more)
- 188. J. Non-Cryst. Solids 149, 137-160 (1992) , “Electron spin resonance characterization of self-trapped holes in amorphous silicon dioxide”, David L. GriscomThe electron spin resonance spectra of radiation-induced self-trapped holes (STHs) in amorphous silicon dioxide are isolated by isochromal annealing experiments and computer simulation analyses. Two distinct components, denoted STH1 and STH2 (plus a third component intermediate between the two),... (Read more)
- 189. Mater. Sci. Forum 83-87, 1165-1170 (1992) , “Spin dependent recombination at deep centers in Si - electrically detected magnetic resonance”, P. Christmann , M. Bernauer , C. Wetzel , A. Asenov , B. K. Meyer , A. Endros
- 190. Phys. Rev. B 43, 6569 (1991) , “Optically detected magnetic resonance of dislocations in silicon”, V. Kveder, P. Omling, H. G. Grimmeiss, Yu. A. OsipyanThe observation of optically detected magnetic resonance (ODMR) signals directly correlated with dislocations in silicon is reported. The ODMR signals are identified as resonances from free electrons, dangling bonds, and quasifree holes bound to a one-dimensional potential in straight dislocations.... (Read more)
- 191. IEEE Trans. Nucl. Sci. 37, 1650-1657 (1990) , “Spin dependent recombination: A 29Si hyperfine study of radiation-induced Pb centers at the Si/SiO2 interface”, M. A. Jupina , P. M. Lenahan
- 192. IEEE Trans. Nucl. Sci. 36, 1800-1807 (1989) , “A spin dependent recombination study of radiation induced defects at and near the Si/SiO2 interface”, M. A. Jupina , P. M. Lenahan
- 193. J. Appl. Phys. 66, 4529 (1989) , “Electron spin resonance in electron-irradiated 3C-SiC”, Hisayoshi Itoh, Naohiro Hayakawa, Isamu Nashiyama, Eiichiro SakumaElectron-irradiation-induced defects in epitaxially grown 3C-SiC crystals have been studied by electron-spin-resonance (ESR) measurements. The results indicate the presence of an isotropic ESR center that consists of five lines equally spaced at about 1.5 G and has a g value of... (Read more)
- 194. Semicond. Sci. Technol. 4, 1045-1060 (1989) , “Spin-dependent and localisation effects at Si/SiO2 device interfaces”, B. Henderson , M. Pepper , R. L. Vranch
- 195. Phys. Rev. B 38, 9674-9685 (1988) , “Hyperfine interactions in cluster models of the Pb defect center”, M. Cook, C. T. WhiteHyperfine interactions in the Pb center (denoted schematically as Si3?Si?) at the Si(111)/SiO2 interface have been studied with use of spin-polarized self-consistent multiple-scattering X? calculations on Si22H21/Si6O18... (Read more)
- 196. Phys. Rev. B 38, 3395-3399 (1988) , “Electrical and Optical Properties of Defects in Silicon Introduced by High-Temperature Electron Irradiation”, Jian-Guo Xu, Fang Lu, and Heng-Hui Sun2-MeV electron irradiation of Si at elevated temperature creates a dominant deep level at the energy Ec-0.36 eV in addition to the oxygen vacancies. This level, which is less significant in room-temperature-irradiated Si, is found to be an efficient recombination center in the present... (Read more)
- 197. Phys. Rev. B 38, 12752(R) (1988) , “Formation energies, abundances, and the electronic structure of native defects in cubic SiC”, C. Wang, J. Bernholc, R. F. DavisThe relative abundance of native point defects in cubic SiC has been studied via ab initio calculations as a function of composition and the Fermi-level position. For Si-rich cubic SiC, the SiC antisite is the dominant defect in n-type material, while the carbon vacancy, which is a double... (Read more)
- 198. Appl. Phys. Lett. 50, 1450 (1987) , “Paramagnetic centers at Si-SiO2 interfaces in silicon-on-insulator films”, W. E. CarlosElectron spin resonance measurements of silicon-on-insulator materials formed oxygen implantation are reported. The principal paramagnetic defect observed is a Pb center at the interface between Si and SiO2 precipitates in the Si film over the buried oxide layer.... (Read more)
- 199. Phys. Rev. B 36, 9638-9648 (1987) , “Theory of the Pb center at the <111> Si/SiO2 interface”, A. H. EdwardsWe present a series of semiempirical calculations on threefold-coordinated silicon at the ?111? Si/SiO2 interface. These were performed on finite clusters of atoms with use of hydrogen terminators in an unrestricted Hartree-Fock formalism wherein we include lattice relaxations. We have... (Read more)
- 200. Phys. Rev. B 35, 1582 (1987) , “Electronic and Atomic Structure of the Boron-Vacancy Complex in Silicon”, M. Sprenger, R. van Kemp, E. G. Sieverts, and C. A. J. AmmerlaanIn electron-irradiated boron-doped silicon the electron paramagnetic resonance spectrum Si-G10 has been studied. Earlier this spectrum had tentatively been identified with a boron-vacancy complex in a next-nearest-neighbor configuration. With electron-nuclear double resonance the hyperfine and... (Read more)
- 201. Appl. Phys. Lett. 49, 348-350 (1986) , “Interface traps and Pb centers in oxidized (100) silicon wafers”, G. J. Gerardi, E. H. Poindexter, P. J. Caplan, N. M. JohnsonThe band-gap energy distribution of Pb centers on oxidized (100) Si wafers has been determined and compared with interface electrical trap density Dit. Two different Pb centers are observed on (100) Si: Pb0,... (Read more)
- 202. Appl. Phys. Lett. 48, 972-974 (1986) , “Electron spin resonance of [1-11], [-111], and [11-1] oriented dangling orbital Pb0 defects at the (111) Si/SiO2 interface”, A. StesmansThe observation of (111) Si/SiO2 interface Pb0 defects (modeled as 0SiSi3) with dangling bonds positioned along [11], [11], and [11] from low-temperature (T30 K) electron spin resonance measurements is reported. This is connected with... (Read more)
- 203. Phys. Rev. B 34, 3610-3619 (1986) , “Dipolar interactions between dangling bonds at the (111) Si-SiO2 interface”, K. L. Brower, T. J. HeadleyIn this paper a computational model is developed which allows one to calculate the contribution to the Zeeman linewidth arising from magnetic dipole-dipole interactions between unpaired electrons in the dilute limit, which in our specific application correspond to dangling bonds (Pb... (Read more)
- 204. Phys. Rev. B 33, 4471 (1986) , “Strain broadening of the dangling-bond resonance at the (111) Si-SiO2 interface”, K. L. BrowerIt is observed that the linewidth and line shape of the Zeeman resonance associated with dangling bonds at the (111)Si-SiO2 interface (Pb centers) vary with the direction of the applied magnetic field. An analysis of the line shape of this resonance indicates that it can be... (Read more)
- 205. Phys. Rev. B 32, 6571 (1985) , “Electrical Properties of Dislocations and Point Defects in Plastically Deformed Silicon”, P. Omling, E. R. Weber, L. Montelius, H. Alexander, J. Michel.Energy levels of defect states introduced by plastic deformation of n-type silicon have been studied by capacitance transient spectroscopy. From the observed properties of the defects, it is concluded that two different types of defects are produced. The first type is interpreted as point defects... (Read more)
- 206. Surf. Sci. 141, 255-284 (1984) , “X AND K BAND ESR STUDY OF THE Pb INTERFACE CENTRES IN THERMALLY OXIDIZED p-TYPE (001)Si WAFERS AT LOW TEMPERATURES AND INFLUENCE OF MEDIUM-DOSE As+ ION IMPLANTATION”, A. Stesmans, J. Braet, J. Witters, R. F. DekeersmaeckerElectron spin resonance (ESR) experiments have been carried out at cryogenic temperatures (4.2 T 35 K) and room temperatures at 9.0 and 20.9 GHz on the Pb0 and Pb1 (commonly referred to as Pb) spin-active defects residing at the Si/SiO2 interface. The ESR lineshapes were shown to display gaussian... (Read more)
- 207. Appl. Phys. Lett. 43, 1111 (1983) , “29Si hyperfine structure of unpaired spins at the Si/SiO2 interface”, K. L. BrowerThe hyperfine spectrum associated with unpaired electrons at the (111) Si/SiO2 interface (Pb centers) is reported for the first time. Electron paramagnetic resonance measurements indicate that the hyperfine interaction S··I arises from the... (Read more)
- 208. J. Appl. Phys. 54, 179-183 (1983) , “The Mechanism of the Enhancement of Divacancy Production by Oxygen During Electron Irradiation of Silicon. II. Computer Modeling”, G. S. Oehrlein, I. Krafcsik, J. L. Lindström, A. E. Jaworowski, and J. W. CorbettNumerical tests of possible models for the oxygen dependence of the divacancy introduction rate in silicon electron irradiated at room temperature were performed on a computer. Only the model in which oxygen traps Si self-interstitials can reproduce all the experimental data. Our modeling results... (Read more)
- 209. J. Appl. Phys. 52, 879-884 (1981) , “Interface states and electron spin resonance centers in thermally oxidized (111) and (100) silicon wafers”, E. H. Poindexter, P. J. Caplan, B. E. Deal, R. R. RazoukInterface states and electron spin resonance centers have been observed and compared in thermally oxidized (111) and (100) silicon wafers subjected to various processing treatments. The ESR Pb signal, previously assigned to interface ·SiSi3 defects on (111)... (Read more)
- 210. phys. stat. sol. (b) 103, 519-528 (1981) , “Investigation of the dislocation spin system in silicon as model of one-dimensional spin chains”, V. A. Grazhulis, V. V. Kveder, Yu. A. OsipyanMagnetic properties of the dislocation dangling bond (DDB) spin system in silicon crystals are investigated by means of the EPR technique at T = (1.3 to 150) K. Experimental results are obtained which enable one to develop a one-dimensional model of the spin system according to which the DDB chains... (Read more)
- 211. Sov. Phys. Solid State 23, 2126 (1981) , “Electron spin resonance of exchange-coupled vacancy pairs in hexagonal silicon carbide”, V. S. Va?ner, V. A. ll’in
- 212. J. Non-Cryst. Solids 32, 327-338 (1979) , “ELECTRON SPIN RESONANCE AND HOPPING CONDUCTIVITY OF a-SiOx”, E. Holzenkämpfer, F. -W. Richter, J. Stuke, U. Voget-GroteAmorphous SiOx-layers with O < x < 2 have been prepared by evaporation of Si at oxygen pressures of 10−6 … 10−3 mbar. The composition of the samples was determined by proton backscattering. The band gap, derived from optical measurements, increases with rising oxygen... (Read more)
- 213. Phys. Rev. B 14, 872-883 (1976) , “EPR of a <001> Si interstitial complex in irradiated silicon”, K. L. Brower.This paper deals with an electron-paramagnetic-resonance study of the Si-B3 center, which was first reported by Daly. The Si-B3 center is a secondary defect which forms upon annealing between 50 and 175°C in irradiated boron-doped silicon and is stable up to ?500°C. Our studies indicate that the... (Read more)
- 214. Phys. Rev. B 14, 4506 (1976) , “EPR study of neutron-irradiated silicon: A positive charge state of the <100> split di-interstitial”, Young-Hoon Lee, Nikolai N. Gerasimenko, and James W. CorbettThe Si-P6 spectrum shows an intrinsic tetragonal symmetry with the C2 axis along ?100? and distortion forces the principal axes of the g tensor to be displaced in the {100} plane. The g tensor previously identified by Jung and Newell was found to be due to the motionally averaged state... (Read more)
- 215. Lattice Defects in Semiconductors 23, 1-22 (1975) , Institute of Physics, London , “EPR Studies of the Lattice Vacancy and Low-Temperature Damage Processes in Silocon”, G. D. Watkins.EPR studies of silicon irradiated at 20.4 K and 4.2 K by 1.5 MeV and 46 MeV electrons are described. In 46 MeV irradiations the dominant defects formed appear to be divavancies and other multiple defect aggregates which liberate vacancies throughout the anneal to room temperature as they reorder, recombine, etc. For 1.5 MeV irradiations group III atoms play a vital role in p- and n-type materials in trapping interstitials and stabilizing damage. Carbon and oxygen are not effective interstitial traps at these temperatures. Evidence of limited vacancy migration during irradiation is also cited. Two distinct excited configurations of vacancy-oxygen pairs are identified as precursors to A-centre formation in n-type silicon. The kinetics for their conversion to A-centres depends strongly upon the Fermi level as does the isolated vacancy migration energy whhich is measured to be 0.18 ± 0.02 eV for the Vï¼ charge state. The vacancy has four charge states, V+, V0, Vï¼ and Vï¼. Kinetics for hole release from V+ reveals an activation barrier of 0.057 eV. The concentration of V+ at 20.4 K in boron-doped material indicates the corresponding donor level even closer to the band edge, approximately EV + 0.039 eV. Jahn-Teller energies for V0, V+, and Vï¼ are estimated from stress-alignment studies and confirmed to be large. Kinetics studies for reorientation from one Jahn-Teller distortion to another are also described for each charge state.
- 216. Phys. Rev. B 9, 4351-4361 (1974) , “EPR study of defects in neutron-irradiated silicon: Quenched-in alignment under <110>-uniaxial stress”, Young-Hoon Lee and James W. CorbettThe stress effect in an EPR study is first treated rigorously in terms of the piezospectroscopic tensor, taking account of the local symmetry of a defect. It is found that the degree of alignment (n?/n?) provides incisive information on the structure of a defect; in general, a... (Read more)
- 217. Solid State Commun. 15, 1781 (1974) , “EPR evidence of the self-interstitials in neutron-irradiated silicon*1”, Y. H. Lee, J. W. Corbett.Detailed studies on Si---P6 spectrum show that the spectrum has an unusual g-tensor symmetry (monoclinic II) and a large stress alignment (n/n|| = 17). A number of defect models for this spectrum were considered; two (<100> split-interstitial and <100> di-interstitial) are briefly discussed here.... (Read more)
- 218. Phys. Rev. B 8, 2810 (1973) , “EPR Studies in Neutron-Irradiated Silicon: A Negative Charge State of a Nonplanar Five-Vacancy Cluster (V5-)”, Y. H. Lee, J. W. Corbett.EPR studies are carried out for the float-zone intrinsic silicon irradiated with reactor neutrons up to the total fluence 1018 n/cm2. Details of the Si29 hyperfine structure and of the g tensor in the P-1 spectrum are observed with respect to temperature from 77 to... (Read more)Si| EPR neutron-irradiation| 29Si P1 Silicon cluster(>3) vacancy .inp files: Si/V5- | last update: Takahide Umeda
- 219. J. Appl. Phys. 43, 3499-3506 (1972) , “Electron Paramagnetic Resonance of the lattice Damage in Oxygen-Implanted Silicon”, K.L. Brower and Wendland BeezholdThe nature of the lattice damage produced at room temperature in ion-implanted intrinsic and n-type silicon has been studied as a function of 160-keV O+ ion fluence using electron paramagnetic resonance (EPR). The known EPR spectra observed were the negative divacancy (Si-G7), the... (Read more)Si| EPR ion-implantation neutron-irradiation| 31P D G7 Oxygen P3 Phosphorus S1 S2 SL2 Silicon amorphous vacancy .inp files: Si/SL2 | last update: Takahide Umeda
- 220. Phys. Rev. B 5, 3988 (1972) , “Electron-Paramagnetic-Resonance Detection of Optically Induced Divacancy Alignment in Silicon”, C. A. J. Ammerlaan, G. D. Watkins.An EPR study was made of the divacancy in silicon, produced by 1.5-MeV electron irradiation at room temperature, under illumination with polarized light. A light-induced alignment of divacancies among the various Jahn-Teller distortion directions in the lattice is observed for the singly positively... (Read more)
- 221. Jpn. J. Appl. Phys. 10, 52-62 (1971) , “Study of Silicon-Silicon Dioxide Structure by Electron Spin Resonance I”, Y. NishiThree kinds of paramagnetic centers named PA, PB and PC have been found in a silicon-silicon dioxide structure at liquid nitrogen temperature. PA (g=∼2.000, ΔH=∼4 Oe), and PB having anisotropic g-value... (Read more)
- 222. Phys. Rev. B 4, 1968 (1971) , “Electron Paramagnetic Resonance of the Neutral (S=1) One-Vacancy-Oxygen Center in Irradiated Silicon”, K. L. Brower.A new EPR spectrum, labeled Si-S1, has been observed in electron- or neutron-irradiated, n- or p-type, crucible-grown silicon under illumination with approximately band-gap light. The Si-S1 spectrum consists primarily of a fine-structure spectrum and a 29Si hyperfine spectrum. By... (Read more)
- 223. Sov. Phys. JETP 31, 677-679 (1970) , “Electron Paramagnetic Resonance in Plastically Deformed Silicon”, V. A. Grazhulis, Yu. A. Osipyan.Lightly doped silicon crystals were investigated experimentally by the electron paramagnetic resonance method. Paramagnetic centers, generated during plastic deformation of these crystals, were detected. The concentration of these centers increased monotonically with increasing degree of deformation. The EPR spectrum of these centers was anisotropic and had a partially resolved fine structure. The centers werestrongly annealed only at temperature T ≧ 600ºC and the activation energy of the annealing process was ~2 eV. It was concluded that these centers were due to electrons of broken bonds in the cores of dislocations with edge components.
- 224. Phys. Rev. Lett. 23, 581 (1969) , “Electron Spin Resonance in Amorphous Silicon, Germanium, and Silicon Carbide”, M. H. Brodsky and R. S. TitleThe g values, line shapes, and linewidths of the ESR signals from within the bulk of amorphous silicon, germanium, and silicon carbide are found to be similar to those of the electron states observed in the surface regions of the corresponding crystalline forms. Discussion is given in terms of a... (Read more)Ge Si SiC| EPR| Carbon D Germanium Silicon amorphous dangling-bond .inp files: Si/amorphous | last update: Takahide Umeda
- 225. Phys. Rev. 170, 705 (1968) , “Electron Paramagnetic Resonance from Clean Single-Crystal Cleavage Surfaces of Silicon”, D. Haneman.EPR measurements have been made on aligned cleavage faces of Si, prepared and studied in high vacuum (<10-9 Torr). The signal, observable after accumulation, is a single line at g=2.0055 with width 6 G, similar to that from vacuum-crushed powders. It is unaffected by oxygen exposures... (Read more)
- 226. Phys. Rev. 138, A555 (1965) , “Production of Divacancies and Vacancies by Electron Irradiation of Silicon”, J. W. Corbett and G. D. WatkinsA study is described of the dependence of the room-temperature production of divacancies and vacancies in silicon upon the energy of the bombarding electrons over the range 0.7-56 MeV. For the divacancy, the Si-G6 electron-paramagnetic-resonance spectrum associated with the singly positively charged... (Read more)
- 227. Phys. Rev. 138, A543 (1965) , “Defects in Irradiated Silicon: Electron Paramagnetic Resonance of the Divacancy”, G. D. Watkins and J. W. CorbettTwo electron paramagnetic resonance spectra produced in silicon by 1.5-MeV electron irradiation are described. Labeled Si-G6 and Si-G7, they are identified as arising from the singly positive and singly negative charged states of the divacancy, respectively. The observed hyperfine interactions with... (Read more)
- 228. Radiation Damage in Semiconductors 97-113 (1965) , Dunod, Paris , “A Review of EPR Studies in Irradiated Silicon”, G. D. Watkins.1. INTRODUCTION (p.97): 2. THE EPR EXPERIMENT (p.97): 3. RESULTS (p.99): A. The lattice Vacancy (p.99), B. Vacancies Trapped by Other Defects (p.102), C. Vacancy Motion (p.103), D. Interstitial Defects (p.103), E. Other Spectra (p.105), 4. SUMMARY AND CONCLUSION (p.110): 5.ACKNOWLEDGMENTS (p.110):
- 229. Phys. Rev. 135, A1381-A1385 (1964) , “New Oxygen Infrared Bands in Annealed Irradiated Silicon”, J. W. Corbett, G. D. Watkins, and R. S. McDonaldInfrared and electron-spin-resonance measurements on the recovery of silicon irradiated with 1.5-MeV electrons are presented. In the infrared measurements the disappearance of the previously reported 829-cm-1 (12?) oxygen vibration band is followed, and the appearance and subsequent... (Read more)
- 230. J. Phys. Soc. Jpn. sppl. II, 18, 22 (1963) , “An EPR Study of the Lattice Vacancy in Silicon”, G. D. Watkins.An EPR spectrum is observed in silicon which is identified as arising from the isolated lattice vacancy. It is observed in p-type silicon which has been irradiated in situ at~40ºK by 1.5 Mev electrons. A simple molecular orbital treatment of the vacancy is outlined which describes many of the features of the spectrum and predicts the observed anisotrophy as resulting from a Jahn-Teller distortion. Studies of the disappearance of the vacancy vs anneal are described and interpreted in terms of long range migration of the vacancy and subsequent trapping by other defects. The activation energy for vacancy motion is determined to be 0.33±.03 ev in p-type material. Further study is required in n-type silicon before an unambiguous interpretation of the emergence of vacancy-impurity pairs can be made.
- 231. Phys. Rev. 132, 648 (1963) , “Spin-1 Centers in Neutron-Irradiated Silicon”, Wun Jung and G. S. NewellElectron paramagnetic resonance was used to study a number of fast-neutron-induced defects formed in pile-irradiated silicon and to follow their concentrations as a function of annealing. Measurements were made at 300, 77, and 4.2°K on samples which had attained intrinsic resistivity during... (Read more)
- 232. Phys. Rev. 121, 1001 (1961) , “Defects in Irradiated Silicon. I. Electron Spin Resonance of the Si-A Center”, G. D. Watkins, J. W. Corbett.The Si-A center is a major, radiation-damage defect produced in "pulled" silicon by a room temperature irradiation. As a result of studies described in this paper (I), and the following one (II), it is concluded that this center is a lattice vacancy with an oxygen atom impurity bridging two of the... (Read more)
- 233. Phys. Rev. Lett. 7, 314 (1961) , “Silicon Divacancy and Its Direct Production by Electron Irradiation”, J. W. Corbett and G. D. WatkinsTo date two defects produced in radiation damage of silicon hava been identified.These defects are a vacancy-oxygeon pair and a vacancy-phosphorous pair. They were identified largely by their associated electron spin resonance spectra and have been labeled the Si-A and Si-E... (Read more)Si| EPR electron-irradiation| G6 Silicon pair(=2) vacancy .inp files: Si/V2+ | last update: Takashi Fukushima
- 234. J. Appl. Phys. 30, 1195 (1959) , “Paramagnetic Resonance in Electron Irradiated Silicon”, G. Bemski.Electron spin resonance has been observed in n-type silicon irradiated with 0.5-Mev electrons. The particular resonance lines discussed here appear only in pulled crystals which contain about 1018 oxygen atoms per cm3. The lines do not appear in floating zone crystals... (Read more)Si| EPR electron-irradiation| A Oxygen Silicon pair(=2) vacancy .inp files: Si/V-O | last update: Takahide Umeda
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