Electronic structure and exchange coupling of Mn impurities in III-V semiconductors

Nature Materials

Volumn 4, Issue 11, 2005, Pages 838-844

  Schulthess, Thomas C ^a   Temmerman, Walter M ^b   Szotek, Zdzislawa ^b   Butler, William H ^c   Stocks, G Malcolm ^a  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b DARESBURY LABORATORY   (United Kingdom)

^c The University of Alabama   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; ELECTRONIC STRUCTURE; IMPURITIES; SEMICONDUCTOR DEVICES;

EXCHANGE COUPLING; LOCAL-SPIN-DENSITY; VALENCE BAND;

MANGANESE;

EID: 33644997524     PISSN: 14761122     EISSN: 14764660     Source Type: Journal    
DOI: 10.1038/nmat1509     Document Type: Article

References (43)

1. Foxon, C. T. et al. The growth of high quality GaMnAs films by MBE. J. Mater. Sci.: Mater. El. 15, 727-731 (2004).
2. Wolf, S. A. et al. Spintronics: A spin-based electronics vision for the future. Science 294, 1488-1495 (2001).
3. Ohno, H. et al. Electric field controle of ferromagnetism. Nature 408, 944-946 (2000).
4. Berger, L. Emission of spin waves by a magnetic multilayer traversed by a current. Phys. Rev. B 54, 9353-9358 (1996).
5. Slonczewski, J. C. Current-driven excitation of magnetic multilayers. J. Magn. Magn. Mater. 159, L1-L7 (1996).
6. Dietl, T., Ohno, H., Matsukura, F., Cibert, J. & Ferrand, D. Zener model description of ferromagnetism in zinc-blende magnetic semiconductors. Science 287, 1019-1022 (2000).
7. Zener, C. Interaction between the d shells in the transition metals. Phys. Rev. 81, 440-444 (1950).
8. Zener, C. Interaction between the d-shells in transition metals. III. Calculations of the Weiss factor in Fe, Co, and Ni. Phys. Rev. 83, 299-301 (1951).
9. Sonoda, S., Shimizu, S., Sasaki, T., Yamamoto, Y. & Hori, H. Molecular beam epitaxy of wurtzite (Ga,Mn)N films on sapphire (0001) showing the ferromagnetic behavior at room temperature. J. Cryst. Growth 237-239, 1358-1362 (2002).
10. Schneider, J., Kaufmann, U., Wilkening, W., Baeumler, M. & Kohl, F. Electronic structure of the neutral Manganese acceptor in gallium arsenide. Phys. Rev. Lett. 59, 240-243 (1987).
11. Kreissl, J. et al. Neutral manganese acceptor in GaP: An electron-paramagnetic-resonance study. Phys. Rev. B 54, 10508-10515 (1996).
12. Dietl, T., Ohno, H. & Matsukura, F. Hole-mediated ferromagnetism in tetrahedrally coordinated semiconductors. Phys. Rev. B 63, 195205 (2001).
13. Lee, B., Jungwirth, T. & MacDonald, A. H. Ferromagnetism in dilute magnetic semiconductor heterojunction systems. Semicond. Sci. Technol. 17, 393-403 (2002).
14. Alvarez, G., Mayr, M. & Dagotto, E. Phase diagram of a model for dilute magnetic semiconductors beyond mean-field approximations. Phys. Rev. Lett. 89, 277202 (2002).
15. Chattopadhyay, A., Sarma, S. D. & Millis, A. J. Transition temperature of ferromagnetic semiconductors: A dynamical mean field study. Phys. Rev. Lett. 87, 227202 (2001).
16. von Barth, U. & Hedin, L. A local exchange-correlation potential for the spin polarized case: I. J. Phys. C 5, 1629-1642 (1972).
17. Hohenberg, P. & Kohn, W. Inhomogeneous electron gas. Phys. Rev. B 136, 864-871 (1964).
18. Kohn, W. & Sham, L. Self-consistent equations including exchange and correlation effects. Phys. Rev. A 140, 1133-1138 (1965).
19. Martin, R. M. Electronic Structure: BasicTheory and Practical Methods (Cambridge Univ. Press, Cambridge, 2004).
20. Kübler, J. Theory of Itinerant Electron Magnetism (International Series of Monographs on Physics, Vol. 106, Oxford Univ. Press, Oxford, 2000).
21. Sato, K. & Katayama-Yoshida, H. First principles materials design for semiconductor spintronics. Semicond. Sci. Technol. 17, 367-376 (2002).
22. Mahadevan, P. & Zunger, A. Ferromagnetism in Mn-doped GaAs due to substitutional-interstitial complexes. Phys. Rev. B 69, 115211 (2004).
23. Temmerman, W. M., Svane, A., Szotek, Z. & Winter, H. in Electronic Density Functional Theory: Recent Progress and New Directions (eds Dobson, J. F., Vignale, G. & Das, M. P.) 327 (Plenum, New York, 1998).
24. Perdew, J. P. & Zunger, A. Self-interaction correction to density-functional approximations for many-electron systems. Phys. Rev. B 23, 5048-5079 (1981).
25. Norman, M. R. & Koelling, D. D. Towards a Kohn-Sham potential via the optimzied effective-potential method. Phys. Rev. B 30, 5530-5540 (1984).
26. Strange, P., Svane, A., Temmerman, W. M., Szotek, Z. & Winter, H. Understanding the valency of rearearths from first-principles theory. Nature 399, 756-758 (1999).
27. 2±x. Science 301, 498-501 (2003).
28. Temmerman, W. M., Winter, H., Szotek, Z. & Svane, A. Cu valency change induced by O doping in YBCO. Phys. Rev. Lett. 86, 2435-2438 (2001).
29. Svane, A. & Gunnarsson, O. Transition-metal oxides in the self-interaction-corrected density-functional formalism. Phys. Rev. Lett. 65, 1148-1151 (1990).
30. Szotek, Z., Temmerman, W. M. & Winter, H. Application of the self-interaction correction to transition-metal oxides. Phys. Rev. B 47, 4029-4032 (1993).
31. Ködderitzsch, D. et al. Exchange interactions in NiO and at the NiO(100) surface. Phys. Rev. B 66, 064434 (2002).
32. Edmonds, K. W. et al. Mn interstitial diffusion in (Ga,Mn)As. Phys. Rev. Lett. 92, 037201 (2004).
33. Edmonds, K. W. et al. Ferromagnetic moment and antiferromagnetic coupling in (Ga,Mn)As thin films. Phys. Rev. B 71, 064418 (2005).
34. Sawatzky, G. A. & Allen, J. W. Magnitude and origine of the band gap in NiO. Phys. Rev. Lett. 53, 2339-2342 (1984).
35. Zaanen, J., Sawatzky, G. A. & Allen, J. W. Band gaps and electronic structure of transition-metal compounds. Phys. Rev. Lett. 55, 418-421 (1985).
36. van Elp, J., Potze, R. H., Eskes, H., Berger, R. & Sawatzky, G. A. Electronic structure of MnO. Phys. Rev. 544, 1530-1537 (1991).
37. Mahadevan, P. & Zunger, A. Trends in ferromagnetism, hole localization, and acceptor level depth for Mn substitution in GaN, GaP, GaAs, and GaSb. Appl. Phys. Lett. 85, 2860-2862 (2004).
38. Ashcroft, N. W. & Mermin, N. D. Solid State Physics (Thomson Learning, Stamford, 1976).
39. xAs. Phys. Rev. B 58, R4211-R4214 (1998).
40. Fischer, S., Wetzel, C., Haller, E. E. & Meyer, B. K. On p-type doping in GaN-acceptor binding energies. Appl. Phys. Lett. 67, 1298-1300 (1995).
41. Kohler, U., Lubbers, M., Mimkes, J. & As, D. J. Properties of carbon as an acceptor in cubic GaN. Physica B 308, 126-129 (2001).
42. Temmerman, W. M., Szotek, Z. & Winter, H. Band-structure method for 4f electons in elemenetal Pr metal. Phys. Rev. B 47, 1184-1189 (1993).
43. xAs studied by resonant phototemission spectroscopy. Phys. Rev. B 59, R2486-R2489 (1999).