Effects of Cu alloying on the structural and electronic properties in amorphous Cux (As0.4 S0.6) 1-x: Ab initio molecular-dynamics simulations

Physical Review B - Condensed Matter and Materials Physics

Volumn 73, Issue 23, 2006, Pages

  Shimojo, Fuyuki ^a   Aniya, Masaru ^a  

^a KUMAMOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33745458221     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.73.235212     Document Type: Article

References (44)

1. Y. Iwadate, T. Hattori, S. Nishiyama, K. Fukushima, Y. Mochizuki, M. Misawa, and T. Fukunaga, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/S0022-3697(99)00159-6 60, 1447 (1999).
2. M. A. Popescu, Non-Crystalline Chalcogenides (Kluwer Academic, Dordrecht, 2000).
3. A. E. Owen, A. P. Firth, and P. J. S. Ewen, Philos. Mag. B PMABDJ 1364-2812 52, 347 (1985).
4. K. Tanaka, Rev. Solid State Sci. RVSSE8 0218-1029 4, 641 (1990).
5. G. Pfeiffer, M. A. Paesler, and S. C. Agarwal, J. Non-Cryst. Solids JNCSBJ 0022-3093 10.1016/0022-3093(91)90449-G 130, 111 (1991).
6. K. Shimakawa, A. Kolobov, and S. R. Elliott, Adv. Phys. ADPHAH 0001-8732 10.1080/00018739500101576 44, 475 (1995).
7. M. Frumar, Z. Polák, Z. Černošek, B. Frumarová, and T. Wágner, Chem. Papers 51, 310 (1997).
8. K. Tanaka, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.57.5163 57, 5163 (1998).
9. I. Z. Indutnyi and P. E. Shepeljavi, J. Non-Cryst. Solids JNCSBJ 0022-3093 227-230, 700 (1998).
10. P. Hari, S. Guzel, T. Su, P. C. Taylor, P. L. Kuhns, W. G. Moulton, and N. S. Sullivan, J. Non-Cryst. Solids JNCSBJ 0022-3093 326-327, 199 (2003).
11. K. Tanaka, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.88136 26, 243 (1975).
12. J. Z. Liu and P. C. Taylor, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.59.1938 59, 1938 (1987).
13. A. Matsuda, M. Kumeda, and T. Shimizu, Jpn. J. Appl. Phys., Part 2 JAPLD8 0021-4922 30, L1075 (1991).
14. G. B. Turpin and L. E. McNeil, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.39.8750 39, 8750 (1989).
15. A. Gheorghiu-de La Rocque, E. Belin-Ferré, M. F. Fontaine, and G. J. Adriaenssens, J. Non-Cryst. Solids JNCSBJ 0022-3093 299-302, 953 (2002).
16. M. Aniya, J. Non-Cryst. Solids JNCSBJ 0022-3093 198-200, 762 (1996).
17. J. Li and D. A. Drabold, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.11998 61, 11998 (2000).
18. J. Li and D. A. Drabold, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.2785 85, 2785 (2000).
19. F. Shimojo, K. Hoshino, and Y. Zempo, J. Non-Cryst. Solids JNCSBJ 0022-3093 312-314, 388 (2002).
20. S. I. Simdyankin, S. R. Elliott, Z. Hajnal, T. A. Niehaus, and Th. Frauenheim, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.144202 69, 144202 (2004).
21. S. I. Simdyankin, T. A. Niehaus, G. Natarajan, Th. Frauenheim, and S. R. Elliott, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.086401 94, 086401 (2005).
22. S. I. Simdyankin, M. Elstner, T. A. Niehaus, Th. Frauenheim, and S. R. Elliott, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.020202 72, 020202 (2005).
23. J. Singh and I. K. Oh, J. Non-Cryst. Solids JNCSBJ 0022-3093 351, 1582 (2005).
24. M. Aniya and F. Shimojo, J. Non-Cryst. Solids JNCSBJ 0022-3093 352, 1510 (2006).
25. I. Watanabe, Y. Inagaki, and T. Shimizu, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.41.2030 41, 2030 (1976).
26. K. S. Liang, A. Bienenstock, and C. W. Bates, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.10.1528 10, 1528 (1974).
27. S. Neov, M. Baeva, I. Gerassimova, and M. Nikiforova, Phys. Status Solidi B PSSBBD 0370-1972 57, 795 (1980).
28. M. M. Radwan, Chemtronics CHMTEO 0267-5900 4, 99 (1989).
29. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
30. F. Shimojo, R. K. Kalia, A. Nakano, and P. Vashishta, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/S0010-4655(01)00247-8 140, 303 (2001).
31. T. A. Arias, M. C. Payne, and J. D. Joannopoulos, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.1538 45, 1538 (1992).
32. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.49.14251 49, 14251 (1994).
33. D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.41.7892 41, 7892 (1990).
34. M. Tuckerman, B. J. Berne, and G. J. Martyna, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.463137 97, 1990 (1992).
35. G. J. Adriaenssens, A. Gheorghiu-de La Rocque, E. Belin-Ferré, and P. Hertogen, J. Non-Cryst. Solids JNCSBJ 0022-3093 266-269, 898 (2000).
36. F. Shimojo, M. Aniya, and K. Hoshino, J. Phys. Soc. Jpn. JUPSAU 0031-9015 73, 2148 (2004).
37. J. Z. Liu and P. C. Taylor, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.41.3163 41, 3163 (1990).
38. F. Shimojo, K. Hoshino, and Y. Zempo, J. Phys. Soc. Jpn. JUPSAU 0031-9015 74, 621 (2005).
39. F. Shimojo, K. Hoshino, and Y. Zempo, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.72.2822 72, 2822 (2003).
40. M. Itoh, J. Non-Cryst. Solids JNCSBJ 0022-3093 10.1016/S0022-3093(96) 00605-9 210, 178 (1997).
41. R. S. Mulliken, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1740588 23, 1833 (1955).
42. R. S. Mulliken, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1740589 23, 1841 (1955).
43. D. Sánchez-Portal, E. Artacho, and J. M. Soler, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/8/21/012 8, 3859 (1996).
44. M. D. Segall, R. Shah, C. J. Pickard, and M. C. Payne, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.16317 54, 16317 (1996).