Monte Carlo simulation of SexTe1-x glass structure with ab initio potentials

Physical Review B - Condensed Matter and Materials Physics

Volumn 72, Issue 2, 2005, Pages

  Mauro, John C ^a,b   Varshneya, Arun K ^a  

^a ALFRED UNIVERSITY   (United States)

^b SP TD 01 01 ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33749233603     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.72.024212     Document Type: Article

References (44)

1. A. K. Varshneya, J. Non-Cryst. Solids JNCSBJ 0022-3093 10.1016/S0022-3093(00)00138-1 273, 1 (2000).
2. C. Oligschleger, R. O. Jones, S. M. Reimann, and H. R. Schober, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.53.6165 53, 6165 (1996).
3. F. H. Stillinger, T. A. Weber, and R. A. LaViolette, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.451426 85, 6460 (1986).
4. D. Caprion and H. R. Schober, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.3709 62, 3709 (2000).
5. C. Oligschleger and J. C. Schön, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/9/5/011 9, 1049 (1997).
6. C. Oligschleger and H. R. Schober, J. Non-Cryst. Solids JNCSBJ 0022-3093 250-252, 651 (1999).
7. D. Caprion and H. R. Schober, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1492797 117, 2814 (2002).
8. D. Caprion and H. R. Schober, J. Non-Cryst. Solids JNCSBJ 0022-3093 326-327, 369 (2003).
9. C. J. Cramer, Essentials of Computational Chemistry: Theories and Models (Wiley, West Sussex, U.K., 2002).
10. F. Shimojo, K. Hoshino, M. Watabe, and Y. Zempo, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/10/6/003 10, 1199 (1998).
11. F. Shimojo, K. Hoshino, and Y. Zempo, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/11/45/307 11, 8829 (1999).
12. F. Shimojo, K. Hoshino, and Y. Zempo, J. Non-Cryst. Solids JNCSBJ 0022-3093 312-314, 290 (2002).
13. X. Zhang and D. A. Drabold, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.83.5042 83, 5042 (1999).
14. X. Zhang and D. A. Drabold, Int. J. Mod. Phys. B IJPBEV 0217-9792 15, 3190 (2001).
15. O. F. Sankey and D. J. Niklewski, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.40.3979 40, 3979 (1989).
16. F. Shimizu, H. Kaburaki, T. Oda, and Y. Hiwatari, J. Non-Cryst. Solids JNCSBJ 0022-3093 250-252, 433 (1999).
17. K. Nakamura and A. Ikawa, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.104203 67, 104203 (2003).
18. R. Stadler and M. J. Gillan, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/12/28/304 12, 6053 (2000).
19. C. Møller and M. S. Plesset, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.46.618 46, 618 (1934).
20. A. K. Wilson, D. E. Woon, K. A. Peterson, and T. H. Dunning, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.478678 110, 7667 (1999).
21. K. A. Peterson, D. Figgen, E. Goll, H. Stoll, and M. Dolg, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1622924 119, 11113 (2003).
22. GAUSSIAN 03, Revision B.04, Gaussian, Inc., Pittsburgh 2003.
23. K. Huang, Statistical Mechanics (Wiley, New York, 1987), ch..
24. J. C. Mauro and A. K. Varshneya, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.214105 71, 214105 (2005).
25. P. M. Morse, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.34.57 34, 57 (1929).
26. P. Schwerdtfeger, J. R. Brown, J. K. Laerdahl, and H. Stoll, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1313556 113, 7110 (2000).
27. K. Nagaya, A. Oohata, I. Yamamoto, and M. Yao, J. Non-Cryst. Solids JNCSBJ 0022-3093 312-314, 337 (2002).
28. J. C. Mauro and A. K. Varshneya, 6th Pacific Rim Conference on Ceramic and Glass Technology (American Ceramic Society,, 2005).
29. N. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, A. H. Teller, and E. Teller, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1699114 21, 1087 (1953).
30. M. N. Rosenbluth and A. W. Rosenbluth, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1740207 22, 881 (1954).
31. D. Vanderbilt and J. D. Joannopolous, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.22.2927 22, 2927 (1980).
32. D. Vanderbilt and J. D. Joannopolous, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.27.6296 27, 6296 (1983).
33. K. Tamura and S. Hosokawa, Ber. Bunsenges. Phys. Chem. BBPCAX 0005-9021 96, 681 (1992).
34. D. Molina, E. Lomba, and G. Kahl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.6372 60, 6372 (1999).
35. P. Jóvári, R. G. Delaplane, and L. Pusztai, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.172201 67, 172201 (2003).
36. J. Hegedüs, K. Kohary, and S. Kugler, J. Non-Cryst. Solids JNCSBJ 0022-3093 338-340, 283 (2004).
37. E. Billig, Proc. Phys. Soc. London, Sect. B PPSBAP 0370-1301 10.1088/0370-1301/65/3/307 65, 216 (1952).
38. K. Tamura, J. Non-Cryst. Solids JNCSBJ 0022-3093 205-207, 239 (1996).
39. K. M. Bernatz, I. Echeverría, S. L. Simon, and D. J. Plazek, J. Non-Cryst. Solids JNCSBJ 0022-3093 307-310, 790 (2002).
40. K. Nakamura and A. Ikawa, J. Non-Cryst. Solids JNCSBJ 0022-3093 312-314, 168 (2002).
41. G. Tourand, B. Cabane, and M. Breuil, J. Non-Cryst. Solids JNCSBJ 0022-3093 8-10, 676 (1972).
42. A. Chiba, Y. Ohmasa, Y. Kawakita, M. Yao, and H. Endo, J. Non-Cryst. Solids JNCSBJ 0022-3093 312-314, 384 (2002).
43. L. M. Needham, M. Cutroni, A. J. Dianoux, and H. M. Rosenberg, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/5/6/001 5, 637 (1993).
44. D. Lezal, J. Optoelectron. Adv. Mater. JOAMF2 1454-4164 5, 23 (2003).