Low-temperature delocalization of hydrogen in crystalline silicon

Solid State Communications

Volumn 97, Issue 5, 1996, Pages 319-322

  Herrero, Carlos P ^a   Ramírez, Rafael ^a  

^a INSTITUTO DE CIENCIA DE MATERIALES DE MADRID   (Spain)

Author keywords

A. semiconductors; C. point defects; D. anharmonicity

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; CRYSTAL IMPURITIES; CRYSTALLINE MATERIALS; HYDROGEN; HYDROGEN BONDS; LOW TEMPERATURE OPERATIONS; MONTE CARLO METHODS; POINT DEFECTS; PROTONS; QUANTUM THEORY;

ANHARMONICITY; BOND CENTER; CRYSTALLINE SILICON; HYDROGEN DELOCALIZATION; PATH INTEGRAL MONTE CARLO METHODS; PROTON DELOCALIZATION; PSEUDOPOTENTIAL DENSITY FUNCTIONAL CALCULATIONS;

SEMICONDUCTING SILICON;

EID: 0030085685     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/0038-1098(95)00698-2     Document Type: Article

References (22)

1. Hydrogen in Semiconductors, edited by J.I. Pankove and N.M. Johnson (Academic Press, New York, 1991).
2. S.J. Pearton, Intern. J. Mod. Phys. B 8, 1093 (1994).
3. Yu. V, Gorelkinskii and N.N. Nevinnyi, Pis'ma Zh. Tekh. Fiz. 13, 105 (1987) [Sov. Tech. Phys. Lett. 13, 45 (1987)].
4. Yu. V, Gorelkinskii and N.N. Nevinnyi, Pis'ma Zh. Tekh. Fiz. 13, 105 (1987) [Sov. Tech. Phys. Lett. 13, 45 (1987)].
5. C.G. Van de Walle, P.J.H. Denteneer, Y. Bar-Yam, and S.T. Pantelides, Phys. Rev. B 39, 10791 (1989); C.G. Van de Walle, Y. Bar-Yam, and S.T. Pantelides, Phys. Rev. Lett. 60, 2761 (1988).
6. C.G. Van de Walle, P.J.H. Denteneer, Y. Bar-Yam, and S.T. Pantelides, Phys. Rev. B 39, 10791 (1989); C.G. Van de Walle, Y. Bar-Yam, and S.T. Pantelides, Phys. Rev. Lett. 60, 2761 (1988).
7. S. Estreicher, Phys. Rev. B 36, 9122 (1987).
8. S. Vogel, M. Celio, Dj. M. Maric, and P.F. Meier, J. Phys.: Condens. Matter 1, 4729 (1989).
9. F. Buda, G.L. Chiarotti, R. Car, and M. Parrinello, Phys. Rev. Lett. 63, 294 (1989).
10. G. Panzarini and L. Colombo, Phys. Rev. Lett. 73, 1636 (1994).
11. D.E. Boucher and G.G. DeLeo, Phys. Rev. B 50, 5247 (1994).
12. R. Ramírez and C.P. Herrero, Phys. Rev. Lett. 73, 126 (1994).
13. R.P. Feynman and A.R. Hibbs, Quantum Mechanics and Path Integrals (McGraw-Hill, New York, 1965).
14. M.J. Gillan in Computer Modelling of Fluids, Polymers and Solids, edited by C.R.A. Catlow, S.C. Parker, and M.P. Allen (Kluwer, Dordrecht, 1990).
15. C.P. Herrero and R. Ramírez, Phys. Rev. B 51, 16761 (1995).
16. F.H. Stillinger and T.A. Weber, Phys. Rev. B 31, 5262 (1985).
17. R. Ramírez and C.P. Herrero, Phys. Rev. B 48, 14659 (1993).
18. K.J. Chang and D.J. Chadi, Phys. Rev. B 40, 11644 (1989).
19. P. Deák, L.C. Snyder, and J.W. Corbett, Phys. Rev. B 43, 4545 (1991).
20. J.P. Valleau in Computer Simulation in Materials Science, edited by M. Meyer and V. Pontikis (Kluwer, Dordrecht, 1991).
21. K. Binder and D.W. Heermann, Monte Carlo Simulation in Statistical Physics (Springer, Berlin, 1988).
22. See, e.g., C. Cohen-Tannoudji, B. Liu, and F. Lalöe, Quantum Mechanics (Wiley, New York, 1977).