GaMnAs: Position of Mn-d levels and majority spin band gap predicted from GGA-1/2 calculations

Applied Physics Letters

Volumn 100, Issue 20, 2012, Pages

  Pela R R ^a   Marques, M ^a   Ferreira, L G ^a,b   Furthmuller J ^c   Teles, L K ^a  

^a INSTITUTO TECNOLÓGICO DE AERONÁUTICA   (Brazil)

^b UNIVERSITY OF SÃO PAULO   (Brazil)

^c FRIEDRICH SCHILLER UNIVERSITY JENA   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYTICAL EXPRESSIONS; COMPOSITION RANGES; EXPERIMENTAL DATA; FIRST-PRINCIPLES CALCULATION; GAP BOWING;

CALCULATIONS; ENERGY GAP; MAGNETIC SEMICONDUCTORS; MANGANESE;

GALLIUM ALLOYS;

EID: 84861796560     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4718602     Document Type: Article

References (40)

1. R. R. Pelá and L. K. Teles, J. Magn. Magn. Mater. 321, 984 (2009). 10.1016/j.jmmm.2008.03.010
2. R. R. Pelá and L. K. Teles, J. Supercond. Novel Magn. 23, 61 (2010). 10.1007/s10948-009-0537-y
3. C. Caetano, L. K. Teles, M. Marques, and L. G. Ferreira, J. Appl. Phys. 107, 123904 (2010). 10.1063/1.3448025
4. A. H. Macdonald, P. Schiffer, and N. Samarth, Nat. Mater. 4, 195 (2005). 10.1038/nmat1325
5. T. Dietl, Nat. Mater. 9, 965 (2010). 10.1038/nmat2898
6. S. Pearton, Nat. Mater. 3, 203 (2004). 10.1038/nmat1102
7. A. Stroppa and G. Kresse, Phys. Rev. B 79, 201201 (2009). 10.1103/PhysRevB.79.201201
8. T. Jungwirth, J. Sinova, J. Masek, J. Kucera, and A. H. MacDonald, Rev. Mod. Phys. 78, 809 (2006). 10.1103/RevModPhys.78.809
9. M. S. Hybertsen and S. G. Louie, Phys. Rev. Lett. 55, 1418 (1985). 10.1103/PhysRevLett.55.1418
10. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981). 10.1103/PhysRevB.23.5048
11. A. D. Becke, J. Chem. Phys. 98, 1372 (1993). 10.1063/1.464304
12. R. Asahi, W. Mannstadt, and A. J. Freeman, Phys. Rev. B 59, 7486 (1999). 10.1103/PhysRevB.59.7486
13. M. Städele, J. A. Majewski, P. Vogl, and A. Görling, Phys. Rev. Lett. 79, 2089 (1997). 10.1103/PhysRevLett.79.2089
14. V. I. Anisimov, F. Aryasetiawan, and A. I. Lichtenstein, J. Phys.: Condens. Matter 9, 767 (1997). 10.1088/0953-8984/9/4/002
15. F. Kwen, R. Leitsmann, and F. Bechstedt, Phys. Rev. B 80, 045203 (2009). 10.1103/PhysRevB.80.045203
16. A. B. Shick, J. Kudrnovsk, and V. Drchal, Phys. Rev. B 69, 125207 (2004). 10.1103/PhysRevB.69.125207
17. L. G. Ferreira, M. Marques, and L. K. Teles, Phys. Rev. B 78, 125116 (2008). 10.1103/PhysRevB.78.125116
18. L. G. Ferreira, M. Marques, and L. K. Teles, AIP Adv. 1, 032119 (2011). 10.1063/1.3624562
19. R. R. Pelá, C. Caetano, M. Marques, L. G. Ferreira, J. Furthmüller, and L. K. Teles, Appl. Phys. Lett. 98, 151907 (2011). 10.1063/1.3576570
20. M. Ribeiro, Jr., L. R. C. Fonseca, and L. G. Ferreira, Phys. Rev. B 79, 241312 (2009). 10.1103/PhysRevB.79.241312
21. G. Kresse and J. Hafner, Phys. Rev. B 47, R558 (1993). 10.1103/PhysRevB.47.558
22. G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996). 10.1016/0927-0256(96)00008-0
23. I. Vurgaftman, J. R. Meyer, and L. R. Ram-Mohan, J. Appl. Phys. 89, 5815 (2001). 10.1063/1.1368156
24. H. Ohno, A. Shen, F. Matsukura, A. Oiwa, A. Endo, S. Katsumoto, and Y. Iye, Appl. Phys. Lett. 69, 363 (1996). 10.1063/1.118061
25. K. Sato, L. Bergqvist, J. Kudrnovsk, P. H. Dederichs, O. Eriksson, I. Turek, B. S. Bouzerar, G. Bouzerar, H. Katayama-Yoshida, V. A. Dinh, T. Fukushima, H. Kizaki, and R. Zeller, Rev. Mod. Phys. 82, 1633 (2010). 10.1103/RevModPhys.82.1633
26. T. C. Schulthess, W. M. Temmerman, Z. Szotek, A. Svane, and L. Petit, J. Phys.: Condens. Matter 19, 165207 (2007). 10.1088/0953-8984/19/16/165207
27. L. Bergqvist, P. A. Korzhavyi, B. Sanyal, S. Mirbt, I. A. Abrikosov, L. Nordström, E. A. Smirnova, P. Mohn, P. Svedlindh, and O. Eriksson, Phys. Rev. B 67, 205201 (2003). 10.1103/PhysRevB.67.205201
28. S. Sanvito, P. Ordejón, and N. A. Hill, Phys. Rev. B 63, 165206 (2001). 10.1103/PhysRevB.63.165206
29. J. Okabayashi, A. Kimura, T. Misokawa, A. Fujimori, T. Hayashi, and M. Tanaka, Phys. Rev. B 59, R2486 (1999). 10.1103/PhysRevB.59.R2486
30. J. Okabayashi, A. Kimura, O. Rader, T. Misokawa, A. Fujimori, T. Hayashi, and M. Tanaka, Phys. Rev. B 64, 125304 (2001). 10.1103/PhysRevB.64.125304
31. H. Åsklund, L. Ilver, J. Kanski, J. Sadowski, and R. Mathieu, Phys. Rev. B 66, 115319 (2002). 10.1103/PhysRevB.66.115319
32. M. Adell, L. Ilver, J. Kanski, J. Sadowski, R. Mathieu, and V. Stanciu, Phys. Rev. B 70, 125204 (2004). 10.1103/PhysRevB.70.125204
33. M. Turek, J. Siewert, and J. Fabian, Phys. Rev. B 78, 085211 (2008). 10.1103/PhysRevB.78.085211
34. T. Dietl, H. Ohno, and F. Matsukura, Phys. Rev. B 63, 195205 (2001). 10.1103/PhysRevB.63.195205
35. T. Tsuruoka, N. Tachikawa, S. Ushioda, F. Matsukura, K. Takamura, and H. Ohno, Appl. Phys. Lett. 81, 2800 (2002). 10.1063/1.1512953
36. O. Thomas, O. Makarovsky, A. Patan, L. Eaves, R. P. Campion, K. W. Edmonds, C. T. Foxon, and B. L. Gallagher, Appl. Phys. Lett. 90, 082106 (2007). 10.1063/1.2709624
37. O. Yastrubchak, J. uk, H. Kryanowska, J. Z. Domagala, T. Andrearczyk, J. Sadowski, and T. Wosinski, Phys. Rev. B 83, 245201 (2011). 10.1103/PhysRevB.83. 245201
38. C. Caetano, L. K. Teles, M. Marques, A. Dal Pino, Jr, and L. G. Ferreira, Phys. Rev. B 74, 045215 (2006). 10.1103/PhysRevB.74.045215
39. A. Belabbes, A. Zaoui, and M. Ferhat, Appl. Phys. Lett. 97, 242509 (2010). 10.1063/1.3527978
40. A. Z. AlZahrani, G. P. Srivastava, R. Garg, and M. A. Migliorato, J. Phys.: Condens. Matter 21, 485504 (2009). 10.1088/0953-8984/21/48/485504