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- 1. Phys. Lett. A 99, 117 (1983) , “Low-Symmetry EPR Center in Hydrogen-Implanted Silicon”, Yu.V. Gorelkinskii, N.N. NevinnyiA new S = 1/2 EPR spectrum, labeled Si-AA2, arises from a negative-charge-state defect which has a low symmetry(C1). It is produced in crystalline silicon by hydrogen implantation at ≈20°C followed by annealing at ≈580°C and disappears completely at 700°C. The kinetics... (Read more)Si| EPR ion-implantation| 29Si AA2 C1 Hydrogen Si-H Vsi cluster(>3) p-type triclinic vacancy .inp files: Si/AA2/AA2.inp | last update: Takahide Umeda
- 2. Phys. Rev. B 31, 5525-5528 (1985) , “Mechanism for hydrogen compensation of shallow-acceptor impurities in single-crystal silicon”, N. M. JohnsonExperimental results are presented which identify the following chemical reaction as being responsible for compensation of shallow-acceptor impurities when single-crystal silicon is exposed to monatomic hydrogen: A-+h++H0↔(AH)0, where A-... (Read more)
- 3. Phys. Rev. B 39, 10791-10808 (1989) , “Theory of hydrogen diffusion and reactions in crystalline silicon”, Chris G. Van de Walle, P. J. H. Denteneer, Y. Bar-Yam, and S. T. PantelidesThe behavior of hydrogen in crystalline silicon is examined with state-of-the-art theoretical techniques, based on the pseudopotential-density-functional method in a supercell geometry. Stable sites, migration paths, and barriers for different charge states are explored and displayed in total-energy... (Read more)
- 4. Phys. Rev. B 47, 3620-3625 (1993) , “{H,B}, {H,C}, and {H,Si} pairs in silicon and germanium”, Dj. M. Maric, P. F. Meier, S. K. EstreicherThe interactions between interstitial H and substitutional B, C, and Si in crystalline silicon and germanium are studied in molecular clusters at the ab initio Hartree-Fock level with large basis sets. The energetics, electronic structures, and relative stabilities of these pairs are determined. Our... (Read more)
- 5. Phys. Rev. Lett. 79, 1507 (1997) , “Identification of the Silicon Vacancy Containing a Single Hydrogen Atom by EPR”, B. Bech Nielsen, P. Johannesen, P. Stallinga, K. Bonde Nielsen
- 6. Phys. Rev. B 58, 3842 (1998) , “Electron Paramagnetic Resonance Study of Hydrogen-Vacancy Defects in Crystalline Silicon”, P. Stallinga, P. Johannesen, S. Herstm, K. Bonde Nielsen, B. Bech Nielsen, J. R. Byberg.Electron paramagnetic resonance measurements on float-zone silicon implanted with protons at ?50 K followed by heating to room temperature have revealed two signals S1a and S1b belonging to the S1 group of signals. S1a and S1b both originate from defects... (Read more)
- 7. Phys. Rev. Lett. 83, 372 (1999) , “Hydrogen Electrochemistry and Stress-Induced Leakage Current in Silica”, Peter E. Bl?chl 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)
- 8. Phys. Rev. Lett. 87, 165506 (2001) , “Defect Generation by Hydrogen at the Si-SiO2 Interfaces”, S. N. Rashkeev, D. M. Fleetwood, R. D. Schrimpf, and S. T. PantelidesHydrogen is known to passivate Si dangling bonds at the Si-SiO 2 interface, but the subsequent arrival of H + at the interface causes depassivation of Si-H bonds. Here we report first-principles density functional calculations, showing that, contrary to conventional... (Read more)
- 9. Appl. Phys. Lett. 81, 1818 (2002) , “Interface structures generated by negative-bias temperature instability in Si/SiO2 and Si/SiOxNy interfaces”, J. Ushio, T. Maruizumi, K. Kushida-AbdelghafarWe used a density functional method to investigate the mechanism of negative-bias temperature instability (NBTI) and resultant structural changes of Si/SiO2 and Si/SiOxNy interfaces. The reaction energies for the water- and hydrogen-originated... (Read more)
- 10. Appl. Phys. Lett. 81, 1839 (2002) , “Dual behavior of H+ at Si–SiO2 interfaces: Mobility versus trapping”, S. N. Rashkeev, D. M. Fleetwood, R. D. Schrimpf, S. T. PantelidesWe report first-principles calculations showing that protons in the vicinity of a SiSiO2 interface can behave in two different ways. At an abrupt interface without suboxide bonds (SiSi bonds at the oxide side of the interface) H+ does not become trapped but migrates... (Read more)
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