A direct first principles study on the structure and electronic properties of Bex Zn1-x O

Applied Physics Letters

Volumn 91, Issue 12, 2007, Pages

  Fan, X F ^a   Zhu, Zexuan ^b   Ong, Yew Soon ^b   Lu, Y M ^c   Shen, Z X ^a   Kuo, Jer Lai ^a  

^a NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

^b NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

^c CHANGCHUN INSTITUTE OF OPTICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ALLOYING ELEMENTS; CRYSTAL SYMMETRY; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; LATTICE CONSTANTS;

BULK MATERIAL; METASTABLE ORDER STATES; PARENT STRUCTURES;

BERYLLIUM COMPOUNDS;

EID: 34648821358     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2789692     Document Type: Article

References (21)

1. Z. K. Tang, G. K. L. Wong, P. Yu, M. Kawasaki, A. Ohtomo, H. Koinuma, and Y. Segawa, Appl. Phys. Lett. 72, 3270 (1998).
2. A. Tsukazaki, A. Ohtomo, T. Onuma, M. Ohtani, T. Makino, M. Sumiya, K. Ohtani, S. F. Chichibu, S. Fuke, Y. Segawa, H. Ohno, H. Koinuma, and M. Kawasaki, Nat. Mater. 4, 42 (2005).
3. Y. R. Ryu, T. S. Lee, and H. W. White, Appl. Phys. Lett. 83, 87 (2003).
4. 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).
5. R. Schmidt, C. Bundesmann, N. Ashkenov, B. Rheinlander, M. Schubert, M. Lorenz, E. M. Kaidashev, D. Spemann, T. Butz, J. Lenzer, and M. Grundmann, in Proceedings of the 26th International Conference on the Physics of Semiconductors, Edinburgh (ICPS-26), IOP Conf. Proc. No. 171 (Institute of Physics, London, 2002), p. 11.
6. M. Sanati, G. L. W. Hart, and A. Zunger, Phys. Rev. B 68, 155210 (2003).
7. A. Ohtomo, M. Kawasaki, I. Ohkubo, H. Koinuma, T. Yasuda, and Y. Segawa, Appl. Phys. Lett. 75, 980 (1999).
8. Y. R. Ryu, T. S. Lee, J. A. Lubguban, A. B. Corman, H. W. White, J. H. Leem, M. S. Han, Y. S. Park, C. J. Youn, and W. J. Kim, Appl. Phys. Lett. 88, 052103 (2006).
9. Y. R. Ryu, T. S. Lee, J. A. Lubguban, H. W. White, B. J. Kim, Y. S. Park, and C. J. Youn, Appl. Phys. Lett. 88, 241108 (2006).
10. L. G. Ferreira, S. H. Wei, and A. Zunger, Phys. Rev. B 0163-1829 10.1103/PhysRevB.40.3197 40, 3197 (1989); D. B. Laks, L. G. Ferreira, S. Froyen, and A. Zunger, Phys. Rev. B 0163-1829 10.1103/PhysRevB.46.12587 46, 12587 (1992); G. L. W. Hart, V. Blum, M. J. Walorski, and A. Zunger, Nat. Mater. 4, 391 (2005).
11. L. G. Ferreira, S. H. Wei, and A. Zunger, Phys. Rev. B 0163-1829 10.1103/PhysRevB.40.3197 40, 3197 (1989); D. B. Laks, L. G. Ferreira, S. Froyen, and A. Zunger, Phys. Rev. B 0163-1829 10.1103/PhysRevB.46.12587 46, 12587 (1992); G. L. W. Hart, V. Blum, M. J. Walorski, and A. Zunger, Nat. Mater. 4, 391 (2005).
12. L. G. Ferreira, S. H. Wei, and A. Zunger, Phys. Rev. B 0163-1829 10.1103/PhysRevB.40.3197 40, 3197 (1989); D. B. Laks, L. G. Ferreira, S. Froyen, and A. Zunger, Phys. Rev. B 0163-1829 10.1103/PhysRevB.46.12587 46, 12587 (1992); G. L. W. Hart, V. Blum, M. J. Walorski, and A. Zunger, Nat. Mater. 4, 391 (2005).
13. P. Hohenberg and W. Kohn, Phys. Rev. 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
14. P. Hohenberg and W. Kohn, Phys. Rev. 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
15. G. Kresse and J. Hafner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.47.558 47, 558 (1993); G. Kresse and J. Furthmuller, Phys. Rev. B 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996); G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996).
16. G. Kresse and J. Hafner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.47.558 47, 558 (1993); G. Kresse and J. Furthmuller, Phys. Rev. B 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996); G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996).
17. G. Kresse and J. Hafner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.47.558 47, 558 (1993); G. Kresse and J. Furthmuller, Phys. Rev. B 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996); G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996).
18. H. J. Monkhorst and J. D. James, Phys. Rev. B 13, 5188 (1976).
19. L. G. Ferreira, S. H. Wei, and A. Zunger, Int. J. Supercomput. Appl. 5, 34 (1991).
20. O. Madelung, Semiconductors: Data Handbook, 3rd ed. (Springer, New York, 2003), 3, 180-196.
21. L. Vegard, Z. Phys. 5, 17 (1921).