Site preference for Mn substitution in spintronic CuMIIIX 2VI chalcopyrite semiconductors

Physical Review B - Condensed Matter and Materials Physics

Volumn 69, Issue 7, 2004, Pages 752081-752087

  Zhao, Yu Jun ^a   Zunger, Alex ^a  

^a NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CADMIUM; COPPER; MANGANESE; PYRITE; TELLURIUM;

ARTICLE; CALCULATION; CONDUCTANCE; DENSITY FUNCTIONAL THEORY; ELECTRON; FERMION; SEMICONDUCTOR; SOLUBILITY; SUBSTITUTION REACTION;

EID: 1642328948     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (38)

1. H. Ohno, Science 281, 951 (1998).
2. S.A. Wolf, D.D. Awschalom, R.A. Buhrman, J.M. Daughton, S. von Molnr, M.L. Roukes, A.Y. Chtchelkanova, and D.M. Treger, Science 294, 1488 (2001).
3. A. Zunger, Solid State Phys. 39, 275 (1986); H. Ohno, A. Shen, F. Matsukura, A. Oiwa, A. Endo, S. Katsumoto, and Y. Iye, Appl. Phys. Lett. 69, 363 (1996); T. Dietl, Semicond. Sci. Technol. 17, 377 (2002).
4. A. Zunger, Solid State Phys. 39, 275 (1986); H. Ohno, A. Shen, F. Matsukura, A. Oiwa, A. Endo, S. Katsumoto, and Y. Iye, Appl. Phys. Lett. 69, 363 (1996); T. Dietl, Semicond. Sci. Technol. 17, 377 (2002).
5. A. Zunger, Solid State Phys. 39, 275 (1986); H. Ohno, A. Shen, F. Matsukura, A. Oiwa, A. Endo, S. Katsumoto, and Y. Iye, Appl. Phys. Lett. 69, 363 (1996); T. Dietl, Semicond. Sci. Technol. 17, 377 (2002).
6. G.A. Medvedkin, T. Ishibashi, T. Nishi, K. Hayata, Y. Hasegawa, and K. Sato, J. Mol. Biol. 39, L949 (2000); S. Cho, S. Choi, G.-B. Cha, S.C. Hong, Y. Kim, Y.-J. Zhao, A.J. Freeman, J.B. Ketterson, B.J. Kim, Y.C. Kim, and B.-C. Cho, Phys. Rev. Lett. 88, 257203 (2002); S. Choi, J. Choi, S.C. Hong, S. Cho, Y. Kim, and J.B. Ketterson, J. Korean Phys. Soc. 42, S739 (2003).
7. G.A. Medvedkin, T. Ishibashi, T. Nishi, K. Hayata, Y. Hasegawa, and K. Sato, J. Mol. Biol. 39, L949 (2000); S. Cho, S. Choi, G.-B. Cha, S.C. Hong, Y. Kim, Y.-J. Zhao, A.J. Freeman, J.B. Ketterson, B.J. Kim, Y.C. Kim, and B.-C. Cho, Phys. Rev. Lett. 88, 257203 (2002); S. Choi, J. Choi, S.C. Hong, S. Cho, Y. Kim, and J.B. Ketterson, J. Korean Phys. Soc. 42, S739 (2003).
8. G.A. Medvedkin, T. Ishibashi, T. Nishi, K. Hayata, Y. Hasegawa, and K. Sato, J. Mol. Biol. 39, L949 (2000); S. Cho, S. Choi, G.-B. Cha, S.C. Hong, Y. Kim, Y.-J. Zhao, A.J. Freeman, J.B. Ketterson, B.J. Kim, Y.C. Kim, and B.-C. Cho, Phys. Rev. Lett. 88, 257203 (2002); S. Choi, J. Choi, S.C. Hong, S. Cho, Y. Kim, and J.B. Ketterson, J. Korean Phys. Soc. 42, S739 (2003).
9. Y.-J. Zhao and A.J. Freeman, J. Magn. Magn. Mater. 246, 145 (2002).
10. P. Mahadevan and A. Zunger, Phys. Rev. Lett. 88, 047205 (2002).
11. T. Kamatani and H. Akai, Phase Transitions 76, 401 (2003).
12. S. Picozzi, Y.-J. Zhao, A.J. Freeman, and B. Delley, Phys. Rev. B 66, 205206 (2002).
13. T. Dietl, H. Ohno, and F. Matsukura, Phys. Rev. B 63, 195205 (2001).
14. J. Ihm, A. Zunger, and M.L. Cohen, J. Phys. C 12, 4409 (1979).
15. J.P. Perdew and Y. Wang, Phys. Rev. B 45, 13 244 (1992).
16. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).
17. G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996); Computer code VASP (Institut für Materialphysik, Universität Wien, Wien, Austria).
18. G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996); Computer code VASP (Institut für Materialphysik, Universität Wien, Wien, Austria).
19. H.J. Monkhorst and J.D. Pack, Phys. Rev. B 13, 5188 (1976).
20. C. Kilic and A. Zunger, Phys. Rev. B 68, 075201 (2003).
21. S.B. Zhang, S.-H. Wei, A. Zunger, and H. Katayama-Yoshida, Phys. Rev. B 57, 9642 (1998).
22. S.B. Zhang, S.-H. Wei, and A. Zunger, Phys. Rev. Lett. 78, 4059 (1997).
23. G. Makov and M.C. Payne, Phys. Rev. B 51, 4014 (1995).
24. Cu.
25. M. Sugiyama, R. Nakai, and H.N.S.F. Chichibu, J. Appl. Phys. 92, 7317 (2002).
26. I. Aksenov and K. Sato, Jpn. J. Appl. Phys., Part 1 31, 2352 (1992).
27. K.G. Lisunov, E. Arushanov, G.A. Thomas, E. Bucher, and J.H. Schön, Phys. Rev. Lett. 88, 047205 (2002).
28. B. Koscielniak-Mucha and A. Opanowicz, Phys. Status Solidi A 130, K55 (1992).
29. C. Kittel, Introduction to Solid State Physics 4th ed. (Wiley, New York 1971).
30. P. Villars and L. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Phases (American Society for Metals, Metals Park, OH, 1985), Vol. I.
31. T. Asada and K. Terakura, Phys. Rev. B 47, 15 992 (1993).
32. 3, see Ref. 28.
33. K. Ueno, M. Kawayama, Z.R. Dai, A. Koma, and F.S. Ohuchi, J. Cryst. Growth 207, 69 (1999).
34. S.-H. Wei and A. Zunger, Phys. Rev. B 48, 6111 (1993).
35. C. Wolverton, Acta Mater. 49, 3129 (2001).
36. D. Cahen and R. Noufi, J. Phys. Chem. Solids 52, 947 (1991).
37. M.I. Alonso, K. Wakita, J. Pascual, M. Garriga, and N. Yamamoto, Phys. Rev. B 63, 075203 (2001).
38. LANDOLT-BÖRNSTEIN: Numerical Data and Functional Relationships in Science and Tecknology, edited by K.-H. Hellwege, (Springer-Verlag, Berlin, 1980), Vol. III.