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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. 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)
- 3. 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)
- 4. 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)
- 5. 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)
- 6. 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)
- 7. 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)
- 8. 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)
- 9. 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)
- 10. 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)
- 11. 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)
- 12. 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)
- 13. 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)
- 14. 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
- 15. 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)
- 16. 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 fluorineânative-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)
- 17. 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)
- 18. 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- Îźm-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)
- 19. 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)
- 20. 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)
- 21. 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)
- 22. 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)
- 23. 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)
- 24. 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)
- 25. 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)
- 26. 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)
- 27. 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)
- 28. 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)
- 29. 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)
- 30. 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)
- 31. 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 2.12Âą0.08âeV. After a long annealing time at 700ÂşC, 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)
- 32. 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)
- 33. 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)
- 34. 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)
- 35. 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 bondfloating bond pairs, with very low activation energies. The... (Read more)
- 36. 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)
- 37. 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)
- 38. 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)
- 39. 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)
- 40. 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)
- 41. 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)
- 42. 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)
- 43. 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)
- 44. 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)
- 45. 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)
- 46. 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)
- 47. 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)
- 48. 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
- 49. 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
- 50. 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
- 51. 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)
- 52. 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)
- 53. 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)
- 54. 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)
- 55. 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)
- 56. 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)
- 57. 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. llin
- 58. 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)
- 59. 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)
- 60. 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 Âą 0.02 eV for the Vďź charge state. The vacancy has four charge states, Vďź, V0, Vďź and Vďź. Kinetics for hole release from Vďź reveals an activation barrier of 0.057 eV. The concentration of Vďź at 20.4 K in boron-doped material indicates the corresponding donor level even closer to the band edge, approximately EV ďź 0.039 eV. Jahn-Teller energies for V0, Vďź, and Vďź 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.
- 61. 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)
- 62. 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)
- 63. 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)
- 64. 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)
- 65. 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)
- 66. 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)
- 67. 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)
- 68. 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)
- 69. 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
- 70. 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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