First-principles study of defect properties of zinc blende MgTe

Physical Review B - Condensed Matter and Materials Physics

Volumn 83, Issue 23, 2011, Pages

  Yang, Ji Hui ^a   Chen, Shiyou ^a   Xiang, Hongjun ^a   Gong, X G ^a   Wei, Su Huai ^b  

^a FUDAN UNIVERSITY   (China)

^b NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 79961182184     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.83.235208     Document Type: Article

References (33)

1. A. Shah, P. Torres, R. Tscharner, N. Wyrsch, and H. Keppner, Science SCIEAS 0036-8075 10.1126/science.285.5428.692 285, 692 (1999). (Pubitemid 29484530)
2. L. L. Kazmerski, F. R. White, and G. K. Morgan, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.89041 29, 268 (1976).
3. K. Mitchell, A. L. Fahrenbruch, and R. H. Bube, J. Vac. Sci. Technol. JVSTAL 0022-5355 10.1116/1.568698 12, 909 (1975).
4. J.-H. Yang, S. Chen, W.-J. Yin, X. G. Gong, A. Walsh, and S.-H. Wei, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.245202 79, 245202 (2009).
5. M. W. Wang, M. C. Phillips, J. F. Swenberg, E. T. Yu, J. O. McCaldin, and T. C. McGill, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.352761 73, 4660 (1993).
6. M. W. Wang, J. F. Swenberg, M. C. Phillips, E. T. Yu, J. O. McCaldin, R. W. Grant, and T. C. McGill, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.111239 64, 3455 (1994).
7. R. K. Watts, W. C. Holton, and M. de Wit, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.3.404 3, 404 (1971).
8. R. M. Park, M. B. Trofer, C. M. Rouleau, J. M. Depuydt, and M. A. Haase, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.103919 57, 2127 (1990).
9. M. A. Haase, J. Qiu, J. DePuydt, and H. Cheng, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.105472 59, 1272 (1991).
10. S.-H. Wei and S. B. Zhang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.66.155211 66, 155211 (2002).
11. D. J. Chadi, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.72.534 72, 534 (1994).
12. C. H. Park and D. J. Chadi, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.75.1134 75, 1134 (1995);
13. C. H. Park and D. J. Chadi, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.55.12995 55, 12995 (1997).
14. T. Baron, K. Saminadayar, S. Tatarenko, H. -J. Lugauer, A. Waag, and G. Landwehr, J. Cryst. Growth 184, 415 (1998).
15. Y.-H. Li, A. Walsh, S. Chen, W.-J. Yin, J.-H. Yang, J. Li, J. L. F. Da Silva, X. G. Gong, and S.-H. Wei, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3143626 94, 212109 (2009).
16. P. Hohenberg and W. Kohn, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.136.B864 136, B864 (1964).
17. W. Kohn and L. J. Sham, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.140. A1133 140, A1133 (1965).
18. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
19. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.11169 54, 11169 (1996).
20. G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996). (Pubitemid 126412269)
21. G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.1758 59, 1758 (1999).
22. O. M. Madelung, Semiconductors: Data Handbook, 3rd ed. (Springer, Berlin, 2004).
23. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.13.5188 13, 5188 (1976).
24. G. A. Baraff and M. Schluter, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.55.1327 55, 1327 (1985).
25. S. B. Zhang and J. E. Northrup, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.67.2339 67, 2339 (1991).
26. D. B. Laks, C. G. Van de Walle, G. F. Neumark, P. E. Blöchl, and S. T. Pantelides, Phys. Rev. B 1098-0121 10.1103/PhysRevB.45.10965 45, 10965 (1992).
27. S.-H. Wei, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/j.commatsci.2004. 02.024 30, 337 (2004).
28. Y. Yan and S.-H. Wei, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/pssb.200743334 245, 641 (2008).
29. D. J. Chadi and K. J. Chang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.61.873 61, 873 (1988);
30. D. J. Chadi and K. J. Chang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.39.10063 39, 10063 (1989).
31. D. J. Chadi, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.15181 59, 15181 (1999).
32. S. B. Zhang and S.-H. Wei, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.1789 86, 1789 (2001). (Pubitemid 32252777)
33. F. Fischer, A. Waag, G. Bilger, T. Litz, S. Scholl, M. Schmitt, and G. Landwehr, J. Cryst. Growth JCRGAE 0022-0248 10.1016/0022-0248(94)90097-3 141, 93 (1994).