First-principles study of the electronic structure and optical properties of Ce-doped ZnO

Journal of Applied Physics

Volumn 109, Issue 6, 2011, Pages

  Zhang, Yun Geng ^a   Zhang, Guang Biao ^a   Wang, Yuan Xu ^a  

^a HENAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

4F STATE; CE-DOPING; CONDUCTION STATE; DEGENERATE SEMICONDUCTORS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DOPED ZNO; ELECTRONIC STRUCTURE AND OPTICAL PROPERTIES; FIRST-PRINCIPLES STUDY; GENERALIZED GRADIENT APPROXIMATIONS; MAGNETIC ORDERS; OPTICAL PERFORMANCE; POTENTIAL APPLICATIONS; SPIN-POLARIZED HOLE; STRONG CORRELATION EFFECT; ZNO;

CALCULATIONS; CERIUM; CORRELATION DETECTORS; DENSITY FUNCTIONAL THEORY; DIELECTRIC MATERIALS; ELECTRON MOBILITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ELECTRONS; SEMICONDUCTOR DOPING; ZINC OXIDE;

OPTICAL PROPERTIES;

EID: 79953646048     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3561436     Document Type: Article

References (39)

1. J. L. Lyons, A. Janotti, and V. de Walle, Appl. Phys. Lett. 95, 252105 (2009). 10.1063/1.3274043
2. X. F. Fan, Z. X. Zhu, Y. S. Ong, Y. M. Lu, Z. X. Shen, and J. L. Kuo, Appl. Phys. Lett. 91, 121121 (2007). 10.1063/1.2789692 (Pubitemid 47461867)
3. A. Ohtomo, M. Kawasaki, T. Koida, K. Masubuchi, H. Koinuma, Y. Sakurai, Y. Yoshida, T. Yasuda, and Y. Segawa, Appl. Phys. Lett. 72, 2466 (1998). 10.1063/1.121384 (Pubitemid 128677249)
4. T. Makino, C. H. Chia, N. T. Tuan, Y. Segawa, M. Kawasaki, A. Ohtomo, K. Tamura, and H. Koinuma, Appl. Phys. Lett. 77, 1632 (2000). 10.1063/1.1308540
5. X. D. Zhang, M. L. Guo, W. X. Li, and C. L. Liu, J. Appl. Phys. 103, 063721 (2008). 10.1063/1.2901033 (Pubitemid 351469595)
6. D. Karmakar, S. K. Mandal, R. M. Kadam, P. L. Paulose, A. K. Rajarajan, T. K. Nath, A. K. Das, I. Dasgupta, and G. P. Das, Phys. Rev. B 75, 144404 (2007). 10.1103/PhysRevB.75.144404
7. K. Sato and H. K. Yoshida, Physica B 308-310, 904 (2001). 10.1016/S0921-4526(01)00834-1 (Pubitemid 34040770)
8. E. C. Lee and K. J. Chang, Phys. Rev. B 69, 085205 (2004). 10.1103/PhysRevB.69.085205
9. B. Deng, Z. Y. Guo, and H. Q. Sun, Appl. Phys. Lett. 96, 172106 (2010). 10.1063/1.3422486
10. A. Ney, V. Ney, S. Ye, K. Ollefs, T. Kammermeier, T. C. Kaspar, S. A. Chambers, F. Wilhelm, and A. Rogalev, Phys. Rev. B 82, 041202 (2010). 10.1103/PhysRevB.82.041202
11. J. A. Sans, J. F. Snchez-Royo, A. Segura, G. Tobias, and E. Canadell, Phys. Rev. B 79, 195105 (2009). 10.1103/PhysRevB.79.195105
12. O. Volnianska, P. Boguslawski, J. Kaczkowski, P. Jakubas, A. Jezierski, and E. Kaminska, Phys. Rev. B 80, 245212 (2009). 10.1103/PhysRevB.80.245212
13. P. N. Favennec, H. L ′ Haridon, D. Moutonnet, M. Salvi, and M. Gauneau, Mater. Res. Soc. Symp. Proc. 301, 181 (1993).
14. U. Wahl, E. Rita, J. G. Correia, E. Alves, and J. P. Arajo, Appl. Phys. Lett. 82, 1173 (2003). 10.1063/1.1555283
15. E. Rita, E. Alves, U. Wahl, J. G. Correia, A. J. Neves, M. J. Soares, and T. Monteiro, Physica B 340-342, 235 (2003). 10.1016/j.physb.2003.09.017
16. J. C. Ronfard-Haret, J. Kossanyi, and J. L. Pastol, J. Phys. Chem. Solids 62, 565 (2001). 10.1016/S0022-3697(00)00216-X (Pubitemid 32077374)
17. J. C. Ronfard-Haret, P. Valat, V. Wintgens, and J. Kossanyi, J. Lumin. 91 71 (2002). 10.1016/S0022-2313(00)00204-0
18. Y.-K. Park, J.-I. Han, M.-G. Kwak, H. Yang, S.-H. Ju, and W.-S. Cho, Appl. Phys. Lett. 72, 668 (1998). 10.1063/1.120833 (Pubitemid 128672375)
19. N. Mais, J. P. Reithmaier, A. Forchel, M. Kohls, L. Spanhel, and G. Mller, Appl. Phys. Lett. 75, 2005 (1999). 10.1063/1.124897
20. S. Komuro, T. Katsumata, T. Morikawa, X. Zhao, H. Isshiki, and Y. Aoyaji, J. Appl. Phys. 88, 7129 (2000). 10.1063/1.1326470
21. W. M. Jadwisienczak, H. J. Lozykowski, A. Xu, and B. Patel, J. Electron. Mater. 31, 776 (2002). 10.1007/s11664-002-0235-z
22. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). 10.1103/PhysRevB.59.1758
23. B. Adolph, J. Furthmller, and F. Bechstedt, Phys. Rev. B 63, 125108 (2001). 10.1103/PhysRevB.63.125108
24. P. E. Blchl, Phys. Rev. B 50, 17953 (1994). 10.1103/PhysRevB.50.17953
25. G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996). 10.1016/0927-0256(96)00008-0 (Pubitemid 126412269)
26. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). 10.1103/PhysRev.136.B864
27. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140.A1133
28. B. Hammer, L. B. Hansen, and J. K. Nrskov, Phys. Rev. B 59, 7413 (1999). 10.1103/PhysRevB.59.7413
29. B. N. Harmon, V. P. Antropov, A. I. Liechtenstein, I. V. Solovyev, and V. I. Anisimov, J. Phys. Chem. Solids 56, 1521 (1995). 10.1016/0022-3697(95)00122- 0
30. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976). 10.1103/PhysRevB.13.5188
31. J. D. Pack and H. J. Monkhorst, Phys. Rev. B 16, 1748 (1977). 10.1103/PhysRevB.16.1748
32. A. Schleife, F. Fuchs, J. Furthmller, and F. Bechstedt, Phys. Rev. B 73, 245212 (2006). 10.1103/PhysRevB.73.245212 (Pubitemid 43938703)
33. J. Wrbel, K. J. Kurzydowski, K. Hummer, G. Kresse, and J. Piechota, Phys. Rev. B 80, 155124 (2009). 10.1103/PhysRevB.80.155124
34. S. Desgreniers, Phys. Rev. B 58, 14102 (1998). 10.1103/PhysRevB.58.14102
35. F. Decremps, F. Datchi, A. M. Saitta, A. Polian, S. Pascarelli, A. D. Cicco, J. P. Itié, and F. Baudelet, Phys. Rev. B 68, 104101 (2003). 10.1103/PhysRevB.68.104101
36. K. Osuch, E. B. Lombardi, and W. Gebicki, Phys. Rev. B 73, 075202 (2006). 10.1103/PhysRevB.73.075202 (Pubitemid 43273457)
37. M. Gajdos, K. Hummer, G. Kresse, J. Furthmller, and F. Bechstedt, Phys. Rev. B 73, 045112 (2006). 10.1103/PhysRevB.73.045112 (Pubitemid 43270689)
38. J. Sun, H. T. Wang, J. L. He, and Y. J. Tian, Phys. Rev. B 71, 125132 (2005). 10.1103/PhysRevB.71.125132 (Pubitemid 40771095)
39. J. G. Lu, S. Fujita, T. Kawaharamura, H. Nishinaka, Y. Kamada, T. Ohshima, Z. Z. Ye, Y. J. Zeng, Y. Z. Zhang, L. P. Zhu, H. P. He, and B. H. Zhao, J. Appl. Phys. 101, 083705 (2007). 10.1063/1.2721374 (Pubitemid 46691148)