Structural models of amorphous silicon surfaces

Physical Review B - Condensed Matter and Materials Physics

Volumn 64, Issue 12, 2001, Pages

  Hadjisavvas, G ^a   Kelires, P C ^a   Kopidakis, G ^a  

^a UNIVERSITY OF CRETE   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

SILICON;

ANALYTIC METHOD; ARTICLE; ATOM; ELECTRON; ENERGY; GEOMETRY; MATHEMATICAL ANALYSIS; MODEL; PREDICTION; SIMULATION; STRUCTURE ANALYSIS; SURFACE PROPERTY; SYSTEM ANALYSIS;

EID: 0035883541     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.64.125413     Document Type: Article

References (40)

1. P C. Kelires, J. Non-Cryst. Solids227-230, 597 (1998).
2. J. Dong and D A. Drabold, Phys. Rev. B57, 15 591 (1998).
3. D E. Polk, J. Non-Cryst. Solids5, 365 (1971).
4. D E. Polk and D S. Boudreaux, Phys. Rev. Lett.31, 92 (1973).
5. C P. Slichter, Principles of Magnetic Resonance (Springer-Verlag, Berlin, 1980).
6. J C. Philips, Phys. Rev. Lett.42, 1151 (1979).
7. S T. Pantelides, Phys. Rev. Lett.57, 2979 (1986).
8. S T. Pantelides, Phys. Rev. Lett.58, 1344 (1987).
9. J H. Stathis and S T. Pantelides, Phys. Rev. B37, 6579 (1988).
10. J H. Stathis, Phys. Rev. B40, 1232 (1989).
11. M. Stutzmann, M S. Brandt, and M W. Bayerl, J. Non-Cryst. Solids266-269, 1 (2000).
12. J. Tersoff, Phys. Rev. B37, 6991 (1988).
13. F. Stillinger and T. Weber, Phys. Rev. B31, 5262 (1985).
14. P C. Kelires and J. Tersoff, Phys. Rev. Lett.61, 562 (1988).
15. M D. Kluge, J R. Ray, and A. Rahman, Phys. Rev. B36, 4234 (1987).
16. W D. Luedtke and U. Landman, Phys. Rev. B40, 1164 (1989).
17. R. Biswas, G S. Grest, and C M. Soukoulis, Phys. Rev. B36, 7437 (1987).
18. M Z. Bazant and E. Kaxiras, Phys. Rev. Lett.77, 4370 (1996).
19. M Z. Bazant, E. Kaxiras, and J F. Justo, Phys. Rev. B56, 8542 (1997).
20. J F. Justo, M Z. Bazant, E. Kaxiras, V V. Bulatov, and S. Yip, Phys. Rev. B58, 2539 (1998).
21. D A. Drabold, P A. Fedders, O F. Sankey, and J D. Dow, Phys. Rev. B42, 5135 (1990).
22. P A. Fedders, D A. Drabold, and S. Klemm, Phys. Rev. B45, 4048 (1992).
23. R. Car and M. Parrinello, Phys. Rev. Lett.55, 2471 (1985).
24. I. Stich, R. Car, and M. Parrinello, Phys. Rev. B44, 11 092 (1991).
25. R. Biswas, C Z. Wang, C T. Chan, K M. Ho, and C M. Soukoulis, Phys. Rev. Lett.63, 1491 (1989).
26. S. Knief and W. von Niessen, Phys. Rev. B60, 5412 (1999).
27. K. Kilian, D A. Drabold, and J B. Adams, Phys. Rev. B48, 17 393 (1993).
28. O F. Sankey and D J. Niklewski, Phys. Rev. B40, 3979 (1989).
29. J. Harris, Phys. Rev. B31, 1770 (1985).
30. W. Foulkes and R. Haydock, Phys. Rev. B39, 12 520 (1989).
31. F. Wooten, K. Winer, and D. Weaire, Phys. Rev. Lett.54, 1392 (1985).
32. N. Bernstein, M J. Mehl, D A. Papaconstantopoulos, N I. Papanikolaou, M Z. Bazant, and E. Kaxiras, Phys. Rev. B62, 4477 (2000).
33. J. Tersoff, Phys. Rev. B38, 9902 (1988).
34. W D. Luedtke and U. Landman, Phys. Rev. B37, 4656 (1988).
35. N. Metropolis, A W. Rosenbluth, M N. Rosenbluth, A H. Teller, and E. Teller, J. Chem. Phys.21, 1087 (1953).
36. S. Roorda, W. Sinke, J. Poate, D. Jacobson, S. Dierker, B. Dennis, D. Eaglesham, F. Spaepen, and P. Fuoss, Phys. Rev. B44, 3702 (1991).
37. B R. Djordjević, M F. Thorpe, and F. Wooten, Phys. Rev. B52, 5685 (1995).
38. C Z. Wang, B C. Pan, and K M. Ho, J. Phys.: Condens. Matter11, 2043 (1999).
39. P C. Kelires, Phys. Rev. Lett.68, 1854 (1992).
40. Note that in the calculation of the EDOS both surfaces of the slab cells are taken into account. Therefore, upon normalization the density of the gap states will be reduced.