Electronic structure and ferromagnetism of Mn-substituted CuAlS2, CuGaS2, CuInS2, CuGaSe2, and CuGaTe2

Physical Review B - Condensed Matter and Materials Physics

Volumn 69, Issue 10, 2004, Pages

  Zhao, Yu Jun ^a   Zunger, Alex ^a  

^a NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANION; CATION; COPPER DERIVATIVE; MANGANESE DERIVATIVE; PYRITE;

ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL BOND; CONDUCTANCE; CRYSTAL STRUCTURE; ELECTROCHEMISTRY; ELECTRONICS; ENERGY; MAGNETISM; MOLECULAR STABILITY; STRUCTURE ANALYSIS; SUBSTITUTION REACTION;

EID: 85038989389     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.69.104422     Document Type: Article

References (29)

1. T. Dietl, H. Ohno, J. Cibert, and D. Ferrand: Science, 287, 1019 (2000).
2. T. Dietl, H. Ohno, and F. Matsukura: Phys. Rev. B, 63, 195205 (2001).
3. Diluted Magnetic Semiconductors, Semiconductors and Semimetals, edited by J. K. Furdyna and J. Kossut (Academic, Boston, 1986), Vol. 25.
4. T. Dietl, et al.: Phys. Rev. B, 63, 085201 (2001).
5. P. Mahadevan and A. Zunger: Phys. Rev. Lett., 88, 047205 (2002).
6. Y.-J. Zhao, W.T. Geng, A.J. Freeman, and T. Oguchi: Phys. Rev. B, 63, 201202 (2001).
7. Y.-J. Zhao and A.J. Freeman: J. Magn. Magn. Mater., 246, 145 (2002).
8. S. Picozzi, Y.-J. Zhao, A. J. Freeman, and B. Delley: Phys. Rev. B, 66, 205206 (2002).
9. S.B. Zhang, S.-H. Wei, A. Zunger, and H. Katayama-Yoshida: Phys. Rev. B, 57, 9642 (1998).
10. Y.-J. Zhao and A. Zunger: Phys. Rev. B, 69, 075208 (2004).
11. J. Ihm, A. Zunger, and M.L. Cohen: J. Phys. C, 12, 4409 (1979).
12. J.P. Perdew and Y. Wang: Phys. Rev. B, 45, 13244 (1992).
13. D. Vanderbilt: Phys. Rev. B, 41, 7892 (1990).
14. G. Kresse and J. Hafner: Phys. Rev. B, 47, RC558 (1993);
15. G. Kresse and J. Furthmüller: Phys. Rev. B, 54, 11169 (1996).
16. H.J. Monkhorst and J.D. Pack: Phys. Rev. B, 13, 5188 (1976).
17. G. Makov and M.C. Payne: Phys. Rev. B, 51, 4014 (1995).
18. R.G. Dandrea, C.B. Duke, and A. Zunger: J. Vac. Sci. Technol. B, 10, 1744 (1992).
19. L. Vegard: Z. Phys., 5, 17 (1921).
20. A. Zunger: Solid State Phys., 39, 275 (1986).
21. J.E. Jaffe and A. Zunger: Phys. Rev. B, 29, 1882 (1984).
22. I. Aksenov, N. Nishikawa, and K. Sato: J. Appl. Phys., 74, 3811 (1993).
23. A.J. Freeman and Y.-J. Zhao: J. Phys. Chem. Solids, 64, 1453 (2003).
24. P. Mahadevan and A. Zunger (unpublished).
25. C. Kilic and A. Zunger: Appl. Phys. Lett., 83, 2007 (2003).
26. C. Kilic and A. Zunger: Phys. Rev. B, 68, 075201 (2003).
27. N. Tsujii, H. Kitazawa, and G. Kido: Phys. Status Solidi A, 189, 951 (2002).
28. P. Mahadevan and A. Zunger: Phys. Rev. B, 68, 075202 (2003).
29. LANDOLT-BÖRNSTEIN: Numerical Data and Functional Relationships in Science and Tecknology, edited by K.-H. Hellwege (Springer, Berlin, 1980), Vol. III.