Tight-binding study of structure and vibrations of amorphous silicon [41]

Physical Review B - Condensed Matter and Materials Physics

Volumn 70, Issue 16, 2004, Pages 1-5

  Feldman, J L ^a   Bernstein, N ^a   Papaconstantopoulos, D A ^a   Mehl, M J ^a  

^a NAVAL RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

SILICON DIOXIDE;

ARTICLE; BINDING AFFINITY; CALCULATION; CHEMICAL STRUCTURE; DIFFRACTION; ELASTICITY; ERROR; FORCE; POLARIZATION; THEORY; VIBRATION; X RAY DIFFRACTION;

EID: 11344278796     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.165201     Document Type: Article

References (43)

1. M. M. J. Treacy, J. M. Gibson, and P. J. Keblinski, J. Non-Cryst. Solids 231, 99 (1998).
2. D. Beeman, R. Tsu, and M. F. Thorpe, Phys. Rev. B 32, 874 (1985).
3. R. L. C. Vink, G. T. Barkema, and W. F. van der Weg, Phys. Rev. B 63, 115210 (2001), and references therein.
4. J. Fortner and J. S. Lannin, Phys. Rev. B 39, 5527 (1989).
5. K. Laaziri, S. Kycia, S. Roorda, M. Chicoine, J. L. Robertson, J. Wang, and S. C. Moss, Phys. Rev. Lett. 82, 3460 (1999) and references therein;). ibid. 60, 13520 (1999
6. K. Laaziri, S. Kycia, S. Roorda, M. Chicoine, J. L. Robertson, J. Wang, and S. C. Moss, Phys. Rev. Lett. 82, 3460 (1999) and references therein;). ibid. 60, 13520 (1999
7. M. Wakagi, K. Ogata, and A. Nakano, Phys. Rev. B 50, 10666 (1994-I); A. Filipponi, F. Evangelisti, M. Benfatto, S. Mobilio, and C. R. Natoli, ibid. 40, 9636 (1989).
8. M. Wakagi, K. Ogata, and A. Nakano, Phys. Rev. B 50, 10666 (1994-I); A. Filipponi, F. Evangelisti, M. Benfatto, S. Mobilio, and C. R. Natoli, ibid. 40, 9636 (1989).
9. C. J. Glover, G. J. Foran, and M. C. Ridgway, Nucl. Instrum. Methods Phys. Res. B 199, 195 (2003).
10. I. Stich, R. Car, and M. Parrinello, Phys. Rev. B 44, 11092 (1991).
11. P. Biswas, Phys. Lett. A 282, 294 (2001).
12. M. Durandurdu and D. A. Drabold, Phys. Rev. B 64, 014101 (2001).
13. P. Klein, H. M. Urbassek, and T. Frauenheim, Comput. Mater. Sci. 13, 252 (1999).
14. W. A. Kamitakahara, C. M. Soukoulis, H. R. Shanks, U. Buchenau, and G. S. Grest, Phys. Rev. B 36, 6539 (1987).
15. P. B. Allen, J. L. Feldman, J. Fabian, and F. Wooten, Philos. Mag. B 79, 1715 (1999).
16. P. Biswas, Phys. Rev. B 65, 125208 (2002).
17. S. M. Nakhmanson and D. A. Drabold, J. Non-Cryst. Solids 266-269, 156 (2000).
18. E. O. Kane, Phys. Rev. B 31, 7865 (1985).
19. G.-M. Rignanese, J.-P. Michenaud, and X. Gonze, Phys. Rev. B 53, 4488 (1996).
20. R. E. Cohen, M. J. Mehl, and D. A. Papaconstantopoulos, Phys. Rev. B 50, 14694 (1994); M. J. Mehl and D. A. Papaconstantopoulos, ibid. 54, 4519 (1996).
21. R. E. Cohen, M. J. Mehl, and D. A. Papaconstantopoulos, Phys. Rev. B 50, 14694 (1994); M. J. Mehl and D. A. Papaconstantopoulos, ibid. 54, 4519 (1996).
22. N. Bernstein, M. J. Mehl, D. A. Papaconstantopoulos, N. I. Papanicolaou, M. Z. Bazant, and E. Kaxiras, Phys. Rev. B 62, 4477 (2000); 65, 249902 (2002) (E).
23. N. Bernstein, M. J. Mehl, D. A. Papaconstantopoulos, N. I. Papanicolaou, M. Z. Bazant, and E. Kaxiras, Phys. Rev. B 62, 4477 (2000); 65, 249902 (2002) (E).
24. F. Kirchhoff, M. J. Mehl, N. I. Papanicolaou, D. A. Papaconstantopoulos, and F. S. Khan, Phys. Rev. B 63, 195101 (2001).
25. F. Wooten, private communication.
26. F. Wooten, K. Winer, and D. Weaire, Phys. Rev. Lett. 54, 1392 (1985).
27. M. Bazant, private communication; see also J. F. Justo, M. Z. Bazant, E. Kaxiras, V. V. Bulatov, and S Yip, Phys. Rev. B 58, 2539 (1998).
28. M. Bazant, private communication; see also J. F. Justo, M. Z. Bazant, E. Kaxiras, V. V. Bulatov, and S Yip, Phys. Rev. B 58, 2539 (1998).
29. Although this energy difference suggests the possibility of energetically favorable coordination defects, the small system sizes and minimal annealing make this conclusion uncertain.
30. F. H. Stillinger and T. A. Weber, Phys. Rev. B 31, 5262 (1985).
31. J. L. Feldman, J. Q. Broughton, and F. Wooten, Phys. Rev. B 43, 2152 (1991), and references therein.
32. X. Zhang, J. D. Comins, A. G. Every, P. R. Stoddart, W. Pang, and T. E. Derry, Phys. Rev. B 58, 13677 (1998).
33. M. Grimsditch, W. Senn, G. Winterling, and M. H. Brodsky, Solid State Commun. 26, 229 (1978).
34. K. Tanaka, Solid State Commun. 60, 295 (1986).
35. Kuschnereit et al., Appl. Phys. A: Mater. Sci. Process. 61, 269 (1995).
36. Due to finite-size effects, our results do not exactly satisfy the expected isotropy conditions on the elastic constants of an amorphous material.
37. R. O Pohl, X. Liu, and E. Thompson, Rev. Mod. Phys. 74, 991 (2002).
38. We tacitly assume that the cell size is big enough that the force on an atom due to the displacement of a different atom and that of its periodic images can be ascribed solely to the closest displaced atom.
39. R. L. C. Vink, G. T. Barkema, W. F. van der Weg, and N. Mousseau, J. Non-Cryst. Solids 282, 248 (2001).
40. C. P. Herrero, Europhys. Lett. 44, 734 (1998); C. P. Herrero, J. Non-Cryst. Solids 271, 18 (2000).
41. C. P. Herrero, Europhys. Lett. 44, 734 (1998); C. P. Herrero, J. Non-Cryst. Solids 271, 18 (2000).
42. M. C. Ridgway, C. J. Glover, K. M. Yu, G. J. Foran, C. Clerc, J. L. Hansen, and A. Nylandsted Larsen, Phys. Rev. B 61, 12586 (2000).
43. J. L.Feldman, N.Bernstein, D. A.Papaconstantopoulos, M. J.Mehl, J. Phys. Condensed Matter (to be published).