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- 1. Phys. Rev. B 77, 195204 (2008) , “Identification of antisite carbon split-interstitial defects in 4H-SiC”, J. W. Steeds, W. SullivanA rich variety of optical centers with high energy local vibrational modes has been found in electron-irradiated 4H-SiC in both the as-irradiated and annealed states. These energies have been measured and the annealing dependence of the optical centers has been investigated by low-temperature... (Read more)
- 2. Phys. Rev. B 77, 195203 (2008) , “Creation and identification of the two spin states of dicarbon antisite defects in 4H-SiC”, J. W. Steeds, W. Sullivan, S. A. Furkert, G. A. Evans, P. J. WellmannThis paper deals with the positive identification by low-temperature photoluminescence microspectroscopy of the two spin states of the dicarbon antisites in 4H-SiC. The defects are created by high-dose electron irradiation at room temperature or by subsequent exposure to intense 325 nm radiation at... (Read more)
- 3. 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
- 4. Appl. Phys. Lett. 91, 122109 (2007) , “Determining the defect parameters of the deep aluminum-related defect center in silicon”, Philipp Rosenits, Thomas Roth, Stefan W. Glunz, and Svetlana BeljakowaThrough a combined application of two characterization methods, deep-level transient spectroscopy and lifetime spectroscopy, the lifetime-limiting defect level in intentionally aluminum-contaminated Czochralski silicon has been analyzed and a complete set of defect parameters could be obtained. This... (Read more)
- 5. Phys. Rev. B 75, 245202 (2007) , “Identification of positively charged carbon antisite-vacancy pairs in 4H-SiC”, T. Umeda, J. Ishoya, T. Ohshima, N. Morishita, H. Itoh, and A. GaliAn antisite-vacancy pair and a monovacancy are a set of fundamental stable and/or metastable defects in compound semiconductors. Theory predicted that carbon antisite-vacancy pairs would be much more stable in p-type SiC than silicon vacancies and that they would be a common defect. However,... (Read more)
- 6. Phys. Rev. B 75, 195335 (2007) , “Computational and experimental imaging of Mn defects on GaAs (110) cross-sectional surfaces”, A. Stroppa, X. Duan, M. Peressi, D. Furlanetto, and S. ModestiWe present a combined experimental and computational study of the (110) cross-sectional surface of Mn δ-doped GaAs samples. We focus our study on three different selected Mn defect configurations not previously studied in detail, namely surface interstitial Mn, isolated and in pairs, and... (Read more)
- 7. Phys. Rev. B 75, 195215 (2007) , “Effect of Co and O defects on the magnetism in Co-doped ZnO: Experiment and theory”, G. S. Chang, E. Z. Kurmaev, D. W. Boukhvalov, L. D. Finkelstein, S. Colis, T. M. Pedersen, A. Moewes, and A. DiniaThe electronic structure of Zn1−xCoxO (x=0.02, 0.06, and 0.10) diluted magnetic semiconductors is investigated using soft x-ray emission spectroscopy and first-principles calculations. X-ray absorption and emission measurements reveal that most Co... (Read more)
- 8. Phys. Rev. B 75, 195208 (2007) , “Supercell and cluster density functional calculations of the thermal stability of the divacancy in germanium”, C. Janke, R. Jones, S. Öberg, and P. R. BriddonLarge vacancy clusters, or voids, formed during crystal growth have been reported in Ge. The divacancy is a precursor to such clusters, and is believed to be stable up to 150 or 180 °C. It is also believed to form in Ge irradiated at room temperature where single vacancies are mobile. Density... (Read more)
- 9. Phys. Rev. B 75, 115418 (2007) , “Early stages of radiation damage in graphite and carbon nanostructures: A first-principles molecular dynamics study”, Oleg V. Yazyev, Ivano Tavernelli, Ursula Rothlisberger, and Lothar HelmUnderstanding radiation-induced defect formation in carbon materials is crucial for nuclear technology and for the manufacturing of nanostructures with desired properties. Using first-principles molecular dynamics, we perform a systematic study of the nonequilibrium processes of radiation damage in... (Read more)
- 10. Phys. Rev. B 75, 115206 (2007) , “Local-density-functional calculations of the vacancy-oxygen center in Ge”, A. Carvalho, R. Jones, J. Coutinho, V. J. B. Torres, S. Öberg, J. M. Campanera Alsina, M. Shaw, and P. R. BriddonWe carry out a comprehensive density-functional study of the vacancy-oxygen (VO) center in germanium using large H-terminated Ge clusters. The importance of a nonlinear core correction to account for the involvement of the 3d electrons in Ge-O bonds is discussed. We calculate the electrical... (Read more)
- 11. 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)
- 12. Phys. Rev. B 75, 085204 (2007) , “Internal structure of the neutral donor-bound exciton complex in cubic zinc-blende and wurtzite semiconductors”, Bernard Gil, Pierre Bigenwald, Mathieu Leroux, Plamen P. Paskov, and Bo MonemarWe calculate the fine structure splitting of the near band edge donor-bound excitons in major cubic semiconductors using an approach inspired by an earlier one that consists in replacing the Morse potential by a Kratzer one, in order to account for the repulsion between the donor and the hole. A... (Read more)
- 13. Phys. Rev. B 75, 075312 (2007) , “Ferromagnetic to ferrimagnetic crossover in Cr-doped GaN nanohole arrays”, Q. Wang, Q. Sun, P. Jena, and Y. KawazoeUsing spin-polarized density-functional theory with exchange and correlation potential, approximated by both the generalized gradient approximation (GGA) and the GGA+U methods, we show that the coupling between a pair of Cr atoms substituted in GaN nanoholes is ferromagnetic. The interaction between... (Read more)
- 14. 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)
- 15. Phys. Rev. B 75, 075202 (2007) , “Theoretical study of Li and Na as n-type dopants for diamond”, J. P. Goss and P. R. BriddonPhosphorus is the n-type dopant of choice for diamond, but results in a deep donor level and alternatives are being sought. One possibility is the incorporation of interstitial alkali metal impurities such as Li and Na. We present the results of density-functional calculations used to predict... (Read more)
- 16. 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)
- 17. Phys. Rev. B 75, 045211 (2007) , “Ab initio supercell calculations on aluminum-related defects in SiC”, A. Gali, T. Hornos, N. T. Son, E. Janzén, and W. J. ChoykeAb initio supercell calculations of the binding energies predict complex formation between aluminum and carbon interstitials in SiC. In high-energy implanted SiC aluminum acceptor can form very stable complexes with two carbon interstitials. We also show that carbon vacancy can be attached to... (Read more)
- 18. Phys. Rev. B 75, 045210 (2007) , “Positron trapping kinetics in thermally generated vacancy donor complexes in highly As-doped silicon”, K. Kuitunen, K. Saarinen, and F. TuomistoWe have measured positron lifetime and Doppler broadening in highly As-doped silicon containing thermally generated V-As3 defect complexes (vacancy is surrounded by three arsenic atoms). We observe positron detrapping from the V-As3 defect complex and determine... (Read more)
- 19. Phys. Rev. B 75, 035309 (2007) , “Role of hydrogen in hydrogen-induced layer exfoliation of germanium”, J. M. Zahler, A. Fontcuberta i Morral, M. J. Griggs, Harry A. Atwater, and Y. J. ChabalThe role of hydrogen in the exfoliation of Ge is studied using cross-sectional transmission electron microscopy, atomic force microscopy, and multiple-internal transmission mode Fourier-transform infrared absorption spectroscopy and compared with the mechanism in silicon. A qualitative model for the... (Read more)
- 20. Phys. Rev. B 75, 033303 (2007) , “Excitons in silicon nanocrystallites: The nature of luminescence”, Eleonora Luppi, Federico Iori, Rita Magri, Olivia Pulci, Stefano Ossicini, Elena Degoli, and Valerio OlevanoThe absorption and emission spectra of silicon nanocrystals up to 1 nm diameter have been calculated within a first-principles framework. Our calculations include geometry optimization and the many-body effects induced by the creation of an electron-hole pair. Starting from hydrogenated silicon... (Read more)
- 21. Phys. Rev. B 75, 033301 (2007) , “Microscopic evidence for evolution of superconductivity by effective carrier doping in boron-doped diamond: 11B-NMR study”, H. Mukuda, T. Tsuchida, A. Harada, Y. Kitaoka, T. Takenouchi, Y. Takano, M. Nagao, I. Sakaguchi, T. Oguchi, and H. KawaradaWe have investigated the superconductivity discovered in boron-doped diamonds by means of 11B-NMR on heteroepitaxially grown (111) and (100) films. 11B-NMR spectra for all of the films are identified to arise from the substitutional B(1) site as single occupation and lower... (Read more)
- 22. 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)
- 23. Phys. Rev. Lett. 98, 215503 (2007) , “Nature of the Bound States of Molecular Hydrogen in Carbon Nanohorns”, F. Fernandez-Alonso, F. J. Bermejo, C. Cabrillo, R. O. Loutfy, V. Leon, and M. L. SaboungiThe effects of confining molecular hydrogen within carbon nanohorns are studied via high-resolution quasielastic and inelastic neutron spectroscopies. Both sets of data are remarkably different from those obtained in bulk samples in the liquid and crystalline states. At temperatures where bulk... (Read more)
- 24. Phys. Rev. Lett. 98, 055504 (2007) , “Ortho-Para Conversion of Interstitial H2 in Si”, M. Hiller, E. V. Lavrov, and J. WeberOrtho-para conversion of isolated interstitial H2 in single-crystalline Si is studied by Raman scattering. This process is suggested to be caused by the interaction of H2 with the nuclear magnetic moment of 29Si. At 77 K the ortho-to-para conversion rate is... (Read more)
- 25. Appl. Phys. Lett. 89, 232112 (2006) , “Determination at 300 K of the hole capture cross section of chromium-boron pairs in p-type silicon”, S. Dubois, O. Palais, and P. J. RibeyronMeasurement of dissolved chromium concentration in p-type crystalline silicon by means of the change in carrier lifetime due to chromium-boron pair dissociation requires precise knowledge of the recombination parameters of dissolved chromium in silicon. This work, based on quasi-steady-state... (Read more)
- 26. Appl. Phys. Lett. 89, 232111 (2006) , “Electron-beam-induced dissociation of B–D complexes in diamond”, J. Barjon, J. Chevallier, F. Jomard, C. Baron, and A. DeneuvilleThe diffusion of deuterium in boron-doped homoepitaxial diamond films leads to the passivation of boron acceptors via the formation of B–D complexes. In this letter, the stability of B–D pairs is investigated under the stress of a low-energy (10 keV) electron-beam irradiation at low... (Read more)
- 27. Appl. Phys. Lett. 89, 211914 (2006) , “Molecular hydrogen formation in hydrogenated silicon nitride”, H. F. W. Dekkers, G. Beaucarne, M. Hiller, H. Charifi, and A. SlaouiHydrogen is released from hydrogenated silicon nitride (SiNx:H) during thermal treatments. The formation of molecular hydrogen (H2) in SiNx:H layers with low mass density is confirmed by Raman spectroscopy. However, no H2 is observed in... (Read more)
- 28. 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)
- 29. Appl. Phys. Lett. 88, 212102 (2006) , “Experimental determination of the local geometry around In and In–C complexes in Si”, F. d'Acapito, Y. Shimizu, S. Scalese, M. Italia, P. Alippi, S. GrassoThe electrical properties of dopants in Si are of primary importance for the realization of electronic devices. Indium represents a promising p-type dopant whose electrical properties are improved by codoping with C. From theoretical studies In and C are expected to pair in the Si matrix in... (Read more)
- 30. Appl. Phys. Lett. 88, 182903 (2006) , “Effects of Al addition on the native defects in hafnia”, Q. Li, K. M. Koo, W. M. Lau, P. F. Lee, J. Y. Dai, Z. F. Hou, X. G. GongTwo occupied native defect bands are experimentally detected in pure HfO2. The density of states of band one in the middle of the band gap reduces drastically with the Al addition, while that of band two slightly above the valence-band maximum remains rather unaffected. We attribute the... (Read more)
- 31. 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)
- 32. 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)
- 33. Appl. Phys. Lett. 88, 091919 (2006) , “Calculation of deep carrier traps in a divacancy in germanium crystals”, J. Coutinho, V. J. B. Torres, R. Jones, A. Carvalho, S. berg, P. R. BriddonWe present an ab initio density functional study on the electronic structure and electrical properties of divacancies in Ge. Although suffering essentially different Jahn-Teller distortions when compared to the analogous defect in Si, the relative location of the electrical levels in the gap... (Read more)
- 34. J. Appl. Phys. 100, 113725 (2006) , “Light- and bias-induced metastabilities in Cu(In,Ga)Se2 based solar cells caused by the (VSe-VCu) vacancy complex”, Stephan Lany and Alex ZungerWe investigate theoretically light- and bias-induced metastabilities in Cu(In,Ga)Se2 (CIGS) based solar cells, suggesting the Se–Cu divacancy complex (VSe-VCu) as the source of this hitherto puzzling phenomena. Due to its amphoteric nature, the... (Read more)
- 35. J. Appl. Phys. 100, 073702 (2006) , “Size and shape effects on excitons and biexcitons in single InAs/InP quantum dots”, N. Chauvin, B. Salem, G. Bremond, G. Guillot, C. Bru-Chevallier, and M. GendrySingle InAs quantum dots grown on an InP vicinal substrate are studied using polarized microphotoluminescence. The study of electron-hole exchange energy splitting reveals that the energy splitting is influenced by quantum confinement. The biexciton binding energies found for single dots grown on... (Read more)
- 36. J. Appl. Phys. 100, 023109 (2006) , “Exciton fine structure and biexciton binding energy in single self-assembled InAs/AlAs quantum dots”, D. Sarkar, H. P. van der Meulen, J. M. Calleja, J. M. Becker, R. J. Haug, and K. PierzThe exciton and biexciton emissions of a series of single quantum dots of InAs in an AlAs matrix have been studied. These emissions consist of linear cross polarized doublets showing large values of both the biexciton binding energy and the fine-structure splitting. At increasing exciton emission... (Read more)
- 37. J. Appl. Phys. 99, 113516 (2006) , “Investigation of the indium-boron interaction in silicon”, S. Scalese, S. Grasso, M. Italia, V. Privitera, J. S. Christensen, and B. G. SvenssonThe interaction between indium and boron coimplanted in silicon has been investigated. In particular, the effects of the coimplantation on the diffusion and the electrical activation have been studied in comparison with the single B or In implanted samples. It is shown that, by means of... (Read more)
- 38. Phys. Rev. B 74, 235214 (2006) , “Raman scattering study of H2 in Si”, M. Hiller, E. V. Lavrov, and J. WeberIsolated interstitial H2 and H2 bound to interstitial oxygen (O–H2) in single-crystalline Si are studied by Raman scattering. Two Raman signals at 3199(1) and 3193(1) cm−1 (T0 K) are identified as ro-vibrational transitions of... (Read more)
- 39. Phys. Rev. B 74, 214109 (2006) , “Inversion of defect interactions due to ordering in Sr1−3x/2LaxTiO3 perovskites: An atomistic simulation study”, B. S. Thomas, N. A. Marks, and Peter HarrowellSr1−3x/2LaxTiO3 perovskites exhibit large variations in radiation resistance and A-site vacancy ordering, depending on x and thermal history. In this study we use a combination of ab initio and classical simulation techniques... (Read more)
- 40. 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)
- 41. Phys. Rev. B 74, 195205 (2006) , “Magnetopolaron effect on shallow donors in GaN”, A. Wysmoek, R. Stpniewski, M. Potemski, B. Chwalisz-Pitka, K. Pakua, J. M. Baranowski, D. C. Look, S. S. Park, and K. Y. LeeResonant interaction between longitudinal-optic (LO) phonons and electrons bound on shallow donors in GaN is studied using magnetoluminescence of neutral-donor bound excitons (D0X). The experiments were performed on high-quality freestanding GaN material and heteroepitaxial... (Read more)
- 42. 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)
- 43. Phys. Rev. B 74, 193405 (2006) , “Role of charge in destabilizing AlH4 and BH4 complex anions for hydrogen storage applications: Ab initio density functional calculations”, A. J. Du, Sean C. Smith, and G. Q. LuNaAlH4 and LiBH4 are potential candidate materials for mobile hydrogen storage applications, yet they have the drawback of being highly stable and desorbing hydrogen only at elevated temperatures. In this letter, ab initio density functional theory calculations reveal... (Read more)
- 44. Phys. Rev. B 74, 161203(R) (2006) , “Room-temperature manipulation and decoherence of a single spin in diamond”, R. Hanson, O. Gywat, and D. D. AwschalomWe report on room-temperature coherent manipulation of the spin of a single nitrogen-vacancy center in diamond and a study of its coherence as a function of magnetic field. We use magnetic resonance to induce Rabi nutations and apply a Hahn spin echo to remove the effect of low-frequency dephasing.... (Read more)
- 45. 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)
- 46. Phys. Rev. B 74, 104303 (2006) , “Nitrogen-vacancy center in diamond: Model of the electronic structure and associated dynamics”, N. B. Manson, J. P. Harrison, and M. J. SellarsSymmetry considerations are used in presenting a model of the electronic structure and the associated dynamics of the nitrogen-vacancy center in diamond. The model accounts for the occurrence of optically induced spin polarization, for the change of emission level with spin polarization and for new... (Read more)
- 47. Phys. Rev. B 73, 245203 (2006) , “Diffusion mechanisms for silicon di-interstitials”, Yaojun A. Du, Richard G. Hennig, and John W. WilkinsTight-binding molecular dynamics and density-functional simulations on silicon seeded with a di-interstitial reveal its detailed diffusion mechanisms. The lowest-energy di-interstitial performs a translation/rotation diffusion-step with a barrier of 0.3 eV and a prefactor of 11 THz followed by a... (Read more)
- 48. Phys. Rev. B 73, 161201(R) (2006) , “Thermally stable carbon-related centers in 6H-SiC: Photoluminescence spectra and microscopic models”, A. Mattausch, M. Bockstedte, O. Pankratov, J. W. Steeds, S. Furkert, J. M. Hayes, W. Sullivan, N. G. WrightRecent ab initio calculations [Mattausch et al., Phys. Rev. B 70, 235211 (2004)] of carbon clusters in SiC reveal a possible connection between the tricarbon antisite (C3)Si and the U photoluminescence center in 6H-SiC [Evans et al., Phys. Rev. B 66, 35204... (Read more)
- 49. Phys. Rev. B 73, 125206 (2006) , “Atomistic simulations on the thermal stability of the antisite pair in 3C- and 4H-SiC”, M. Posselt, F. Gao, W. J. WeberThe thermal stability of the first-neighbor antisite pair configurations in 3C- and 4H-SiC is investigated by atomic-level computer simulations. First, the structure and energetics of these defects are determined in order to check the accuracy of the interatomic potential employed. The results are... (Read more)
- 50. Phys. Rev. B 73, 115208 (2006) , “Evidence for a trigonal dimer of antibonding hydrogen in crystalline silicon”, R. N. Pereira and B. Bech NielsenThe infrared absorption spectra recorded on silicon crystals implanted with protons at cryogenic temperatures reveal three lines at 812, 1608, and 1791 cm1, which originate from the excitation of local vibrational modes of a H defect. Measurements carried out on crystals subjected... (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. Lett. 97, 256602 (2006) , “Bistability-Mediated Carrier Recombination at Light-Induced Boron-Oxygen Complexes in Silicon”, Mao-Hua Du, Howard M. Branz, Richard S. Crandall, and S. B. ZhangA first-principles study of the BO2 complex in B-doped Czochralski Si reveals a defect-bistability-mediated carrier recombination mechanism, which contrasts with the standard fixed-level Shockley-Read-Hall model of recombination. An O2 dimer distant from B causes only weak... (Read more)
- 53. Phys. Rev. Lett. 97, 255902 (2006) , “Atomistic Mechanism of Boron Diffusion in Silicon”, Davide De Salvador, Enrico Napolitani, Salvatore Mirabella, Gabriele Bisognin, Giuliana Impellizzeri, Alberto Carnera, and Francesco PrioloB diffuses in crystalline Si by reacting with a Si self-interstitial (I) with a frequency g and so forming a fast migrating BI complex that can migrate for an average length λ. We experimentally demonstrate that both g and λ strongly depend on the free hole... (Read more)
- 54. Phys. Rev. Lett. 96, 55501 (2006) , “Divacancy in 4H-SiC”, N. T. Son, P. Carlsson, J. ul Hassan, E. Janz?n, 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. Physica B 376-377, 486 (2006) , “Preferential substitution of Fe on physically equivalent Ga sites in GaN”, W. Gehlhoff, D. Azamat, U. Haboeck, A. HoffmannThe EPR spectra of Fe3+ in high-quality thick freestanding hydride vapor phase grown GaN have been studied in the X- and Q-band. A complex resonance pattern with numerous lines of different intensities provided by three different defects is observed for these nearly stress-free iron-doped samples.... (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, 022903 (2005) , “Electron spin resonance investigation of oxygen-vacancy-related defects in BaTiO3 thin films”, V. V. Laguta, A. M. Slipenyuk, I. P. Bykov, M. D. Glinchuk, M. Maglione, D. Michau, J. Rosa, L. JastrabikThe Ti3+ center, based on a regular Ti site perturbed by an oxygen vacancy (VO), is identified by electron spin resonance (ESR) in textured BaTiO3 films. The center shows tetragonal symmetry along cubic 100 axes with g-factors: g=1.997,... (Read more)
- 59. J. Appl. Phys. 97, 053704 (2005) , “The role of nitrogen-related defects in high-k dielectric oxides: Density-functional studies”, J. L. Gavartin, A. L. Shluger, A. S. Foster, G. I. BersukerUsing ab initio density-functional total energy and molecular-dynamics simulations, we study the effects of various forms of nitrogen postdeposition anneal (PDA) on the electric properties of hafnia in the context of its application as a gate dielectric in field-effect transistors. We... (Read more)
- 60. 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)
- 61. 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)
- 62. Phys. Rev. B 71, 035213 (2005) , “Possibility for the electrical activation of the carbon antisite by hydrogen in SiC”, A. Gali, P. Deák, N. T. Son, and E. JanzénCalculations predict the carbon antisite to be the most abundant intrinsic defect in silicon carbide in a wide range of doping. The isolated carbon antisite is, however, optically and electronically inactive, therefore, difficult to observe by usual experimental techniques. However, CSi... (Read more)
- 63. 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)
- 64. 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)
- 65. 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)
- 66. 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)
- 67. 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)
- 68. Phys. Rev. B 70, 085202 (2004) , “Reassignment of phosphorus-related donors in SiC”, E. Rauls, M. V. B. Pinheiro, S. Greulich-Weber, and U. GerstmannCombining efficient density-functional based tight-binding molecular dynamics with ab initio calculations, we show that despite higher formation energies the incorporation of phosphorus at the carbon sublattice is favored by kinetic effects during the annealing processes. Based on the... (Read more)
- 69. Phys. Rev. B 69, 233202 (2004) , “Diffusion of hydrogen in perfect, p-type doped, and radiation-damaged 4H-SiC”, B. Aradi, P. De?k, A. Gali, N. T. Son, E. Janz?nThe 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)
- 70. Phys. Rev. B 69, 045322 (2004) , “Carbon antisite clusters in SiC: A possible pathway to the DII center”, Alexander Mattausch, Michel Bockstedte, and Oleg PankratovThe photoluminescence center DII is a persistent intrinsic defect which is common in all SiC polytypes. Its fingerprints are the characteristic phonon replicas in luminescence spectra. We perform ab initio calculations of vibrational spectra for various defect complexes and... (Read more)
- 71. 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)
- 72. 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)
- 73. Phys. Rev. Lett. 93, 086102 (2004) , “Reaction of the Oxygen Molecule at the Si(100)–SiO2 Interface During Silicon Oxidation”, Angelo Bongiorno and Alfredo PasquarelloUsing constrained ab initio molecular dynamics, we investigate the reaction of the O2 molecule at the Si(100)SiO2 interface during Si oxidation. The reaction proceeds sequentially through the incorporation of the O2 molecule in a Si-Si bond and the... (Read more)
- 74. Phys. Rev. Lett. 92, 135502 (2004) , “Hydrogen Incorporation in Diamond: The Vacancy-Hydrogen Complex”, C. Glover, M. E. Newton, P. M. Martineau, S. Quinn, D. J. TwitchenWe report the identification of the vacancy-hydrogen complex in single crystal diamond synthesized by chemical vapor deposition. The S = 1 defect is observed by electron paramagnetic resonance in the negative charge state. The hydrogen atom is bonded to one of the carbon atoms neighboring the... (Read more)
- 75. 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)
- 76. J. Appl. Phys. 94, 519-524 (2003) , “Molecular nitrogen (N2-" align="middle">) acceptors and isolated nitrogen (N–) acceptors in ZnO crystals”, N. Y. Garces, Lijun Wang, N. C. Giles, L. E. Halliburton, G. Cantwell, D. B. EasonElectron paramagnetic resonance (EPR) has been used to investigate molecular nitrogen and isolated nitrogen acceptors in single crystals of ZnO. These samples were grown by the seeded chemical vapor transport method with N2 added to the gas stream. A five-line EPR spectrum is observed at... (Read more)
- 77. 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)
- 78. 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. De?kUsing 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)
- 79. Phys. Rev. B 68, 125201 (2003) , “Aggregation of carbon interstitials in silicon carbide: A theoretical study”, A. Gali, P. Deák, P. Ordejón, N. T. Son, E. Janzén, and W. J. ChoykeAb initio supercell calculations have been carried out to investigate clusters of carbon interstitials in 3C- and 4H-SiC. Based on the calculated formation energies, the complex formation of carbon interstitials or their aggregation to carbon antisites is energetically favored... (Read more)
- 80. Phys. Rev. B 68, 085202 (2003) , “Physics and chemistry of hydrogen in the vacancies of semiconductors”, Bernadett Szûcs, Adam Gali, Zoltán Hajnal, Peter Deák, and Chris G. Van de WalleHydrogen is well known to cause electrical passivation of lattice vacancies in semiconductors. This effect follows from the chemical passivation of the dangling bonds. Recently it was found that H in the carbon vacancy of SiC forms a three-center bond with two silicon neighbors in the vacancy, and... (Read more)
- 81. 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)
- 82. 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)
- 83. Phys. Rev. Lett. 90, 225502 (2003) , “Z1/Z2 Defects in 4H–SiC”, T. A. G. Eberlein, R. Jones, P. R. BriddonFirst-principles calculations are carried out on models for the Z1/Z2 defects in 4HSiC which are found in as-grown and irradiated n-type material. We show that an interstitial-nitrogeninterstitial-carbon defect is exceptionally thermally stable,... (Read more)
- 84. 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)
- 85. Phys. Rev. Lett. 90, 137402 (2003) , “Vacancy Defects as Compensating Centers in Mg-Doped GaN”, S. Hautakangas, J. Oila, M. Alatalo, K. Saarinen, L. LIszkay, D. Seghier, H.P. GislasonWe apply positron annihilation spectroscopy to identify VNMgGa complexes as native defects in Mg-doped GaN. These defects dissociate in postgrowth annealings at 500800 °C. We conclude that VNMgGa complexes contribute to... (Read more)
- 86. Physica B 340-342, 15-24 (2003) , “Defects in SiC”, E. Janz?n, 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)
- 87. 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. ?bergFirst-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)
- 88. 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)
- 89. 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)
- 90. 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)
- 91. 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)
- 92. 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. Ren? 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)
- 93. Phys. Rev. B 63, 245202 (2001) , “Ab initio density-functional supercell calculations of hydrogen defects in cubic SiC”, B. Aradi, A. Gali, P. De?k, J. E. Lowther, N. T. Son, E. Janz?n, 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)
- 94. 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)
- 95. 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)
- 96. 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)
- 97. Phys. Rev. B 61, 7448-7458 (2000) , “Hydrogen passivation of the selenium double donor in silicon:?A study by magnetic resonance”, P. T. Huy, C. A. J. Ammerlaan, T. Gregorkiewicz, D. T. Don.The passivation by hydrogen of selenium double donors in silicon has been investigated by magnetic resonance. Hydrogen was introduced by heat treatment at high temperatures in an atmosphere of water vapor. Two spectra were observed, labeled Si-NL60 and Si-NL61 for further reference, both showing... (Read more)
- 98. 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)
- 99. Phys. Rev. B 61, 12939 (2000) , “Dimer of Substitutional Carbon in Silicon Studied by EPR and ab initio Methods”, J. R. Byberg, B. Bech Nielsen, M. Fanciulli, S. K. Estreicher, P. A. Fedders.An EPR signal observed in carbon-doped float-zone silicon after irradiation with 2-MeV electrons at room temperature has been investigated. It represents a defect with S=1/2, an apparently isotropic g factor (=2.0030), and a complicated hyperfine structure from 29Si nuclei in five shells... (Read more)
- 100. 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)
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