Interatomic potential for silicon defects and disordered phases

Physical Review B - Condensed Matter and Materials Physics

Volumn 58, Issue 5, 1998, Pages 2539-2550

  Justo, João F ^a   Bazant, Martin Z ^b   Kaxiras, Efthimios ^b  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b HARVARD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000590093     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.58.2539     Document Type: Article

References (74)

1. M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992).
2. H. Balamane, T. Halicioglu, and W. A. Tiller, Phys. Rev. B 46, 2250 (1992).
3. F. H. Stillinger and T. A. Weber, Phys. Rev. B 31, 5262 (1985).
4. J. Tersoff, Phys. Rev. Lett. 56, 632 (1986).
5. J. Tersoff, Phys. Rev. B 37, 6991 (1988).
6. J. Tersoff, Phys. Rev. B 38, 9902 (1988).
7. X. P. Li, G. Chen, P. B. Allen, and J. Q. Broughton, Phys. Rev. B 38, 3331 (1988).
8. I. P. Batra, F. F. Abraham, and S. Ciraci, Phys. Rev. B 35, 9552 (1987).
9. M. Nastar, V. V. Bulatov, and S. Yip, Phys. Rev. B 53, 13 521 (1995).
10. T. W. Poon, S. Yip, P. S. Ho, and F. F. Abraham, Phys. Rev. Lett. 65, 2161 (1990).
11. J. Q. Broughton and X. P. Li, Phys. Rev. B 35, 9120 (1987).
12. W. D. Luedtke and U. Landman, Phys. Rev. B 37, 4656 (1988).
13. M. D. Kluge, J. R. Ray, and A. Rahman, Phys. Rev. B 36, 4234 (1987).
14. M. Ishimaru, K. Yoshida, and T. Motooka, Phys. Rev. B 53, 7176 (1996).
15. L. J. Porter, S. Yip, M. Yamaguchi, H. Kaburaki, and M. Tang, J. Appl. Phys. 81, 96 (1997).
16. P. C. Kelires and J. Tersoff, Phys. Rev. Lett. 61, 562 (1988).
17. E. Kaxiras and K. C. Pandey, Phys. Rev. B 38, 12 736 (1988).
18. A. D. Mistriotis, N. Flytzanis, and S. C. Farantos, Phys. Rev. B 39, 1212 (1989).
19. B. C. Bolding and H. C. Andersen, Phys. Rev. B 41, 10 568 (1990).
20. J. R. Chelikowsky, J. C. Phillips, M. Kamal, and M. Strauss, Phys. Rev. Lett. 62, 292 (1989).
21. J. R. Chelikowsky and J. C. Phillips, Phys. Rev. B 41, 5735 (1990).
22. Phys. Rev. BJ. R. Chelikowsky, K. M. Glassford, and J. C. Phillips, 44, 1538 (1991).
23. M. Z. Bazant, E. Kaxiras, and J. F. Justo, Phys. Rev. B 56, 8542 (1997).
24. A. E. Carlsson, P. A. Fedders, and C. W. Myles, Phys. Rev. B 41, 1247 (1990).
25. M. Z. Bazant and E. Kaxiras, Phys. Rev. Lett. 77, 4370 (1996); in Materials Theory, Simulations and Parallel Algorithms, edited by E. Kaxiras, J. Joannopoulos, P. Vashista, and R. Kalia, MRS Symposia Proceedings No. 408 (Materials Research Society, Pittsburgh, PA, 1996), pp. 79-84.
26. J. F. Justo, M. Z. Bazant, E. Kaxiras, V. V. Bulatov, and S. Yip (unpublished).
27. P. Alinaghian, S. R. Nishitani, and D. G. Pettifor, Philos. Mag. B 69, 889 (1994).
28. A. E. Carlsson, in Many-Atom Interactions in Solids, edited by R. M. Nieminen, M. J. Puska, and M. J. Manninen, Springer Proceedings in Physics Vol. 48 (Springer-Verlag, Berlin, 1990), pp. 257-263.
29. A. E. Carlsson, in Solid State Physics: Advances in Research and Applications, edited by H. Ehrenreich and D. Turnbull (Academic, New York, 1990), Vol. 43, pp. 1-91.
30. S. Ismail-Beigi and E. Kaxiras (private communication).
31. K. C. Pandey, Phys. Rev. Lett. 57, 2287 (1986).
32. Y. Bar-Yam and J. D. Joannopoulous, Phys. Rev. Lett. 52, 1129 (1984).
33. P. J. Kelly and R. Car, Phys. Rev. B 45, 6543 (1992).
34. H. Seong and L. J. Lewis, Phys. Rev. B 53, 9791 (1996).
35. E. Kaxiras and M. S. Duesbery, Phys. Rev. Lett. 70, 3752 (1993).
36. G. Simmons and H. Wang, Single Crystal Elastic Constants and Calculated Aggregate Properties: A Handbook (MIT, Cambridge, MA, 1971).
37. E. Kaxiras and L. L. Boyer, Modell. Simul. Mater. Sci. Eng. 1, 91 (1992).
38. D. C. Wallace, Thermodynamics of Crystals (Wiley, New York, 1972).
39. O. H. Nielsen and R. M. Martin, Phys. Rev. B 32, 3792 (1985).
40. J. Wang, S. Yip, S. R. Phillpot, and D. Wolf, Phys. Rev. Lett. 71, 4182 (1993).
41. N. Bernstein and E. Kaxiras, Phys. Rev. B 56, 10 488 (1997).
42. I. Kwon, R. Biswas, C. Z. Wang, K. M. Ho, and C. M. Soukoulis, Phys. Rev. B 49, 7242 (1994).
43. V. V. Bulatov, S. Yip, and A. S. Argon, Philos. Mag. A 72, 453 (1995).
44. P. E. Blöchl, E. Smargiassi, R. Car, D. B. Laks, W. Andreoni, and S. T. Pantelides, Phys. Rev. Lett. 70, 2435 (1993).
45. K. C. Pandey and E. Kaxiras, Phys. Rev. Lett. 66, 915 (1991).
46. E. Kaxiras and K. C. Pandey, Phys. Rev. B 47, 1659 (1993).
47. Phys. Rev. BA. Antonelli, S. Ismail-Beigi, E. Kaxiras, and K. C. Pandey, 53, 1310 (1996).
48. L. B. Hansen, K. Stokbro, B. I. Lundqvist, K. W. Jacobsen, and D. M. Deaven, Phys. Rev. Lett. 75, 4444 (1995).
49. J. R. K. Bigger, D. A. McInnes, A. P. Sutton, M. C. Payne, I. Stich, R. D. King-Smith, D. M. Bird, and L. J. Clarke, Phys. Rev. Lett. 69, 2224 (1992).
50. Y. M. Huang, J. C. H. Spence, and O. F. Sankey, Phys. Rev. Lett. 74, 3392 (1995).
51. T. A. Arias and J. D. Joannopoulos, Phys. Rev. Lett. 73, 680 (1994).
52. R. W. Nunes, J. Bennetto, and D. Vanderbilt, Phys. Rev. Lett. 77, 1516 (1996).
53. U. Trinczek and H. Teichler, Phys. Status Solidi A 137, 577 (1993).
54. A. S. Nandedkar and J. Narayan, Philos. Mag. A 61, 873 (1990).
55. M. S. Duesbery, B. Joos, and D. J. Michel, Phys. Rev. B 43, 5143 (1991).
56. H. Teichler, in Polycrystalline Semiconductors, edited by J. H. Werner, H. J. Moller, and H. P. Strunk (Springer, New York, 1989), Vol. 35, p. 25.
57. M. Parrinello and A. Rahman, J. Appl. Phys. 52, 7182 (1981).
58. G. Csányi, S. Ismail-Beizi, and T. Arias, Phys. Rev. Lett.80, 3984 (1998).
59. T. Suzuki, S. Takeuchi, and H. Yoshinaga, in Dislocation Dynamics and Plasticity (Springer, New York, 1991), p. 99.
60. I. Štich, R. Car, and M. Parrinello, Phys. Rev. B 44, 4262 (1991).
61. I. ŠtichR. CarM. ParrinelloPhys. Rev. Lett. 63, 2240 (1989).
62. I. Štich, R. Car, and M. Parrinello, Phys. Rev. B 44, 11 092 (1991).
63. R. Car and M. Parrinello, Phys. Rev. Lett. 60, 204 (1988).
64. K. Ding and H. C. Andersen, Phys. Rev. B 34, 6987 (1986).
65. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1987).
66. I. Štich, M. Parrinello, and J. M. Holender, Phys. Rev. Lett. 76, 2077 (1996).
67. V. M. Glazov, S. N. Chizhevskaya, and N. N. Glagoleva, Liquid Semiconductors (Plenum, New York, 1969).
68. J. Fortner and J. S. Lannin, Phys. Rev. B 39, 5527 (1989).
69. S. Kugler, G. Molnar, G. Petö, E. Zsoldos, L. Rosta, A. Menelle, and R. Bellissent, Phys. Rev. B 40, 8030 (1989).
70. R. Biswas, G. S. Grest, and C. M. Soukoulis, Phys. Rev. B 36, 7437 (1987).
71. S. Roorda, W. C. Sinke, J. M. Poate, D. C. Jacobson, S. Dierker, B. S. Dennis, D. J. Eaglesham, F. Spaepen, and P. Fuoss, Phys. Rev. B 44, 3702 (1991).
72. F. Wooten, K. Winer, and D. Weaire, Phys. Rev. Lett. 54, 1392 (1985).
73. J. M. Holender and G. J. Morgan, J. Phys.: Condens. Matter 3, 7241 (1991).
74. J. Phys.: Condens. MatterJ. M. HolenderG. J. Morgan3, 1947 (1991).