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- 1. Phys. Rev. B 75, 014102 (2007) , “First-principles study of vacancy formation in hydroxyapatite”, Katsuyuki Matsunaga and Akihide KuwabaraFirst-principles plane-wave calculations were performed for hydroxyapatite (HAp) in order to investigate the electronic structure and vacancy formation mechanisms. The HAp unit cell contains PO4 tetrahedra and OH groups formed by covalent P-O and H-O bonds. Ca ions play a role for... (Read more)
- 2. Appl. Phys. Lett. 89, 011909 (2006) , “Unusual hydrogen distribution and its change in hydrogenated amorphous silicon prepared using bias electric-field molecular beam deposition”, Nobuyuki Matsuki, Satoshi Shimizu, Michio Kondo, and Akihisa MatsudaHydrogenated amorphous silicon (a-Si:H) films prepared using a molecular beam deposition (MBD) method show an unusually sharp, narrow infrared absorption peak at 20802090 cm1, which is thought to result from surface SiH species in the a-Si:H. The sharp, narrow... (Read more)
- 3. J. Appl. Phys. 99, 113520 (2006) , “Effects of hydrogen bond redistribution on photoluminescence of a-SiC:H films under thermal treatment”, A. V. Vasin, S. P. Kolesnik, A. A. Konchits, V. I. Kushnirenko, V. S. Lysenko, A. N. Nazarov, A. V. Rusavsky, and S. AshokHydrogenated amorphous silicon carbide (a-SiC:H) films have been deposited using magnetron sputtering technique. An integrated investigation of the effect of vacuum annealing temperature on photoluminescence properties and paramagnetic defects and its correlation with structural... (Read more)
- 4. J. Appl. Phys. 99, 063509 (2006) , “On the origin of the Staebler-Wronski effect”, Thomas KrügerThe parametrization of our recently proposed model of the Staebler-Wronski effect (SWE) is improved, which leads to an even better agreement with the experimental photoconductivity of light-soaked a-Si:H. The numerical solution of the essential equation exhibits well the typical SWE behavior,... (Read more)
- 5. 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)
- 6. Phys. Rev. B 74, 174122 (2006) , “Lithium colloids and color center creation in electron-irradiated Li2NH observed by electron-spin resonance”, F. Beuneu, P. Vajda, Y. Nakamori, and S. OrimoWe have irradiated Li2NH powder with MeV electrons at room temperature and investigated the introduced defects with electron spin resonance. Conduction electron spin resonance indicates the presence of nanosize metallic Li colloids seen as a Lorentzian line with a g=2.0023 and a... (Read more)
- 7. Phys. Rev. B 74, 085201 (2006) , “Hydrogen dynamics and light-induced structural changes in hydrogenated amorphous silicon”, T. A. Abtew and D. A. DraboldWe use accurate first-principles methods to study the network dynamics of hydrogenated amorphous silicon, including the motion of hydrogen. In addition to studies of atomic dynamics in the electronic ground state, we also adopt a simple procedure to track the H dynamics in light-excited states.... (Read more)
- 8. Phys. Rev. B 73, 115203 (2006) , “Thermal stability of gamma-irradiation-induced oxygen-deficient centers in silica”, S. Agnello and L. NuccioThe effects of isochronal thermal treatments on three -irradiation-induced point defects, named the E, ODC(II), and H(I) centers, are investigated in various types of commercial silica (a-SiO2). ODC(II) is investigated by means of photoluminescence spectroscopy,... (Read more)
- 9. Phys. Rev. Lett. 97, 155901 (2006) , “Proton Diffusion Mechanism in Amorphous SiO2”, Julien Godet and Alfredo PasquarelloWe study proton diffusion in amorphous SiO2 from the atomic scale to the long-range percolative regime. Ab initio molecular dynamics suggest that the dominant atomic process consists in cross-ring interoxygen hopping assisted by network vibrations. A statistical analysis accounting... (Read more)
- 10. Phys. Rev. Lett. 92, 087601 (2004) , “Hydrogen-Release Mechanisms in the Breakdown of Thin SiO2 Films”, J. Suñé and E. Y. WuThe mechanism of hydrogen release from the anode Si/SiO2 interface that triggers defect generation and finally the dielectric breakdown of the oxide in metal-oxide-semiconductor structures is investigated. Extensive experimental charge-to-breakdown statistics are used to derive the defect... (Read more)
- 11. Phys. Rev. Lett. 89, 135507 (2002) , “Diffusion and Reactions of Hydrogen in F2-Laser-Irradiated SiO2 Glass”, Koichi Kajihara, Linards Skuja, Masahiro Hirano, and Hideo HosonoThe diffusion and reactions of hydrogenous species generated by single-pulsed F2 laser photolysis of SiO-H bond in SiO2 glass were studied in situ between 10 and 330Â K. Experimental evidence indicates that atomic hydrogen (H0) becomes mobile even at temperatures as... (Read more)
- 12. 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)
- 13. 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)
- 14. 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
- 15. 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
- 16. 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)
- 17. J. Non-Cryst. Solids 179, 1-9 (1994) , “The many varieties of E′ centers: a review”, Robert A. WeeksThree varieties of E′ centers with a spin state, S = 1/2, and with a G-tensor, Gx Gy 2.0003, Gz 2.0018, were identified in the early reports on paramagnetic states in irradiated α-quartz. The atomic structure of two of these had an hydrogen ion (proton) in nearby sites and hence... (Read more)
- 18. 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)
- 19. 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)
- 20. Appl. Phys. Lett. 41, 251-253 (1982) , “Defects and impurities in thermal oxides on silicon”, K. L. Brower, P. M. Lenahan, and P. V. DressendorferOxides grown at 1100 °C in dry oxygen for 60 min to a thickness of 1350 Å on silicon with and without subsequent forming gas anneals were 60Co irradiated at 4 K with doses up to 106 rad (Si). In situ electron paramagnetic... (Read more)
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