Ab initio simulations of diluted magnetic semiconductors: Cobalt-doped zinc oxide

Physica Status Solidi (A) Applications and Materials Science

Volumn 205, Issue 8, 2008, Pages 1839-1846

  Nayak, Sanjeev K ^a   Ogura, Masako ^b   Hucht, Alfred ^a   Buschmann, Stephan ^a   Akai, Hisazumi ^b   Entel, Peter ^a  

^a UNIVERSITY OF DUISBURG ESSEN   (Germany)

^b OSAKA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO SIMULATIONS; CODOPED ZNO; COULOMB CORRELATIONS; DILUTED MAGNETIC SEMICONDUCTORS; GENERALIZED GRADIENT APPROXIMATIONS; IONIC STRUCTURES; MAGNETIC; SEMI-CONDUCTORS; SPECTROSCOPIC DATUM; STRUCTURAL AND MAGNETIC PROPERTIES; WURTZITE LATTICES;

COBALT; CORRELATION METHODS; CRYSTALS; DATA STRUCTURES; ELECTRIC CONDUCTIVITY; ELECTRIC CURRENTS; ELECTRONIC STRUCTURE; MAGNETIC MATERIALS; MAGNETIC PROPERTIES; MAGNETIC SEMICONDUCTORS; SEMICONDUCTOR MATERIALS; TRANSITION METALS; ZINC; ZINC OXIDE; ZINC SULFIDE;

DENSITY FUNCTIONAL THEORY;

EID: 54349126173     PISSN: 18626300     EISSN: 18626319     Source Type: Journal    
DOI: 10.1002/pssa.200723637     Document Type: Conference Paper

References (52)

1. T. Dietl, H. Ohno, F. Matsukura, J. Cibert, and D. Ferrand, Science 287, 1019 (2000).
2. J. Kossut and W. Dobrowolski, in: Handbook of Magnetic Materials, Vol. 7, edited by K. H. J. Buschow (North-Holland, Amsterdam, 1993), chap. 4.
3. F. Matsukura, H. Ohno, and T. Dietl, in: Handbook of Magnetic Materials, Vol. 14, edited by K. H. J. Buschow (North-Holland, Amsterdam, 2002), chap. 1.
4. W. Dobrowolski, J. Kossut, and T. Story, in: Handbook of Magnetic Materials, Vol.15, edited by K. H. J. Buschow (North-Holland, Amsterdam, 2003), chap. 3.
5. W. Prellier, A. Fouchet, and B. Mercey, J. Phys.: Condens. Matter 15, R1583 (2003).
6. R. Janisch, P. Gopal, and N. A. Spaldin, J. Phys.: Condens. Matter 17, R657 (2005).
7. X. Liu and J. K. Furdyna, J. Phys.: Condens. Matter 18, R245 (2006)
8. H. Akai, Phys. Rev. Lett. 81, 3002 (1998).
9. K. Sato and H. Katayama-Yoshida, Jpn. J. Appl. Phys. 39, L555 (2000).
10. P. Kacman, Semicond. Sci. Technol. 16, R25 (2001).
11. T. Dietl, H. Ohno, and F. Matsukura, Phys. Rev. B 63, 195205 (2001).
12. T. Dietl, Semicond. Sci. Technol. 17, 377 (2002)
13. K. Sato, P. H. Dederichs, and H. Katayama-Yoshida, Europhys. Lett. 61, 403 (2003).
14. K. Sato, P. H. Dederichs, H. Katayama-Yoshida, and J. Kudrnovsky, J. Phys.: Condens. Matter 16, S5491 (2004).
15. J. M. D. Coey, M, Venkatesan, and C. B. Fitzgerald, Nature Mater. 4, 173 (2005).
16. P. H. Dederichs, K. Sato, and H. Katayama-Yoshida, Phase Transit. 78, 851 (2005).
17. K. Sato, H. Katayama-Yoshida, and P. H. Dederichs, Jpn. J. Appl. Phys. 44, L948 (2005).
18. P. Gopal and N. A. Spaldin, Phys. Rev. B 74, 094418 (2006).
19. H. Katayama-Yoshida, K. Sato, T. Fukushima, M. Toyoda, H. Kizaki, V. A. Dinh, and P. H. Dederichs, phys. stat. sol. (a) 204, 15 (2007).
20. C. Zener, Phys. Rev. 81, 440 (1950);
21. Rev. 83, 299 (1951).
22. P. Mahadevan, A. Zunger, and D. D. Sarma, Phys. Rev. Lett. 93, 177201 (2004).
23. M. E. Overberg, C. R. Abernathy, S. J. Pearton, N. A. Theodoropoulou, K. T. McCarthy, and A. F. Hebard, Appl. Phys. Lett. 79, 1312 (2001).
24. K. H. Ploog, S. Dhar, and A. Trampert, J. Vac. Sci. Technol. 821, 1756 (2003).
25. A. Janotti and C. G. Van de Walle, Appl. Phys. Lett. 87, 122102 (2005).
26. A. Janotti and C. G. Van de Walle, Nature Mater. 6, 44 (2007).
27. L. S. Vlasenko and G. D. Watkins, Phys. Rev. B 71, 125210 (2005).
28. P. Erhart, A. Klein, and K. Albe, Phys. Rev. B 72, 085213 (2005).
29. P. Erhart and K. Albe, Phys. Rev. B 73, 115207 (2006).
30. P. Erhart, K. Albe, and A. Klein, Phys. Rev. B 73, 205203 (2006).
31. P. Erhart and K. Albe, Appl. Phys. Lett. 88, 201918 (2006).
32. M. Gacic, G. Jakob, C. Herbort, H. Adrian, T. Tietze, S. Brück, and E. Goering, Phys. Rev. B 75, 205206 (2007).
33. L. Yan, C. K. Ong, and X. S. Rao, J. Appl. Phys. 96, 508 (2004).
34. S. Ramachandran, A. Tiwari, and J. Narayan, Appl. Phys. Lett. 84, 5255 (2004).
35. E.-C. Lee and K. J. Chang, Phys. Rev. B 69, 085205 (2004).
36. T. Chanier, M. Sargolzaei, I. Opahle, R. Hayn, and K. Koepernik, Phys. Rev. B 73, 134418 (2006).
37. K. Fink, Chem. Phys. 326, 297 (2006).
38. A. Mang, K. Reimann, and S. Rübenacke, Solid State Commun. 94, 251 (1995).
39. G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996).
40. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999).
41. J. Okabayashi, K. Ono, M. Mizuguchi, M. Oshima, S. S. Gupta, D. D. Sarma, T. Mizokawa, A. Fujimori, M. Yuri, C. T. Chen, T. Fukumura, M. Kawasaki, and H. Koinuma, J. Appl. Phys. 95, 3573 (2004).
42. D. Vogel, P. Krüger, and J. Pollmann, Phys. Rev. B 54, 5495 (1996).
43. M. Toyoda, H. Akai, K. Sato, and H. Katayama-Yoshida, Physica B 376/377, 647 (2006).
44. Y. Ishida, J. I. Hwang, M. Kobayashi, A. Fujimori, H. Saeki, H. Tabata, and T. Kawai, Physica B 351, 304 (2004).
45. T. Mizokawa, T. Nambu, A. Fujimori, T. Fukumura, and M. Kawasaki, Phys. Rev. B 65, 085209 (2002).
46. M. Kobayashi, Y. Ishida, J. I. Hwang, T. Mizokawa, A. Fujimori, K. Mamiya, J. Okamoto, Y. Takeda, T. Okane, Y. Saitoh, Y. Muramatsu, A. Tanaka, H. Saeki, H. Tabata, and T. Kawai, Phys. Rev. B 72, 201201(R) (2005).
47. A. I. Liechtenstein, M. I. Katsnelson, V. P. Antropov, and V. A. Gubanov, J. Magn. Magn. Mater. 67, 65 (1987).
48. K. Sato, W. Schweika, P. H. Dederichs, H. Katayama-Yoshida, Phys. Rev. B 70, 201202(R) (2004).
49. J. Kudrnovsky, V. Drchal, J. Turek, L. Bergvist, O. Eriksson, G. Bouzerar, L. Sandratskii, and P. Bruno, J. Phys.: Condens. Matter 16, S5571 (2004).
50. L. Berggvist, O. Eriksson, J. Kudrnovsky, V. Drchal, P. Korzhavyi, and J. Turek, Phys. Rev. Lett. 93, 137202 (2004).
51. M. Ogura, calculations using the Machikaneyama-2002 code.
52. Private communication.