Stability and half-metallicity of transition metal pnictides in tetrahedrally bonded structures

Physical Review B - Condensed Matter and Materials Physics

Volumn 71, Issue 6, 2005, Pages

  Miao, M S ^a   Lambrecht, Walter R L ^a  

^a CASE WESTERN RESERVE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIMONY; ARSENIC; CHROMIUM DERIVATIVE; MANGANESE; PNICTIDE; TRANSITION ELEMENT; UNCLASSIFIED DRUG; VANADIUM; ZINC SULFIDE;

ARTICLE; CHEMICAL STRUCTURE; COMPRESSION; DENSITY; DENSITY FUNCTIONAL THEORY; ELECTRONICS; ENERGY; MAGNETISM; MATERIALS; POLARIZATION; ROTATION; STRUCTURE ANALYSIS;

EID: 16244396449     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.71.064407     Document Type: Article

References (34)

1. D. D. Awschalom and J. M. Kikkawa, Phys. Today 52(6), 33 (1999).
2. S. A. Wolf, D. D. Awschalom, R. A. Buhrman, J. M. Daughton, S. von Molnár, M. L. Roukes, A. Y. Chtchelkanova, and D. M. Treger, Science 294, 1488 (2001).
3. I. S. Osborne, Science 294, 1483 (2001).
4. W. E. Pickett and J. S. Moodera, Phys. Today 54(5), 39 (2001).
5. R. A. de Groot, F. M. Mueller, P. G. van Engen, and K. H. J. Buschow, Phys. Rev. Lett. 50, 2024 (1983).
6. R. A. de Groot, Physica B 172, 45 (1991).
7. C. Palmstrom, Mater. Res. Bull. 28, 725 (2003).
8. J. M. D. Coey and C. L. Chen, Mater. Res. Bull. 28, 720 (2003).
9. H. Akinaga, T. Manago, and M. Shirai, Jpn. J. Appl. Phys., Part 2 39, L1118 (2000).
10. J. H. Zhao, F. Matsukura, K. Takamura, E. Abe, D. Chiba, and H. Ohno, Appl. Phys. Lett. 79, 2776 (2001).
11. K. Ono, J. Okabayashi, M. Mizuguchi, M. Oshima, A. Fujimori, and H. Akinaga, J. Appl. Phys. 91, 8088 (2002).
12. M. Shirai, Physica E (Amsterdam) 10, 143 (2001).
13. P. Ravindran, A. Delin, P. James, B. Johansson, J. M. Wills, R. Ahuja, and O. Eriksson, Phys. Rev. B 59, 15 680 (1999).
14. S. Sanvito and N. A. Hill, Phys. Rev. B 62, 15 553 (2000).
15. A. Continenza, S. Picozzi, W. T. Geng, and A. J. Freeman, Phys. Rev. B 64, 085204 (2001).
16. Y. J. Zhao, W. T. Geng, A. J. Freeman, and B. Delley, Phys. Rev. B 65, 113202 (2002).
17. Y.-Q. Xu, B.-G. Liu, and D. G. Pettifor, Phys. Rev. B 66, 184435 (2002).
18. I. Galanakis, P. H. Dederichs, and N. Papanikolaou, Phys. Rev. B 66, 134428 (2002).
19. B.-G. Liu, Phys. Rev. B 67, 172411 (2003).
20. W.-H. Xie, Y.-Q. Xu, B.-G. Liu, and D. G. Pettifor, Phys. Rev. Lett. 91, 037204 (2003).
21. I. Galanakis and P. Mavropoulos, Phys. Rev. B 67, 104417 (2003).
22. J. E. Pask, L. H. Yang, C. Y. Fong, W. E. Pickett, and S. Dag, Phys. Rev. B 67, 224420 (2003).
23. B. Sanyal, L. Bergqvist, and O. Eriksson, Phys. Rev. B 68, 054417 (2003).
24. W.-H. Xie and B.-G. Liu, and D. G. Pettifor, Phys. Rev. B 68, 134407 (2003).
25. M. Methfessel, M. van Schilfgaarde, and R. A. Casali, in Electronic Structure and Physical Properties of Solids, The uses of the LMTO Method, edited by Hugues Dreyssé, Springer Lecture Notes, Workshop Mont Saint Odille, France, 1998 (Springer, Berlin, 2000), p. 114-147.
26. E. Bott, M. Methfessel, W. Krabs, and P. C. Schmidt, J. Math. Phys. 39, 3393 (1998).
27. U. von Barth and L. Hedin, J. Phys. C 5, 2064 (1972).
28. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
29. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
30. C. Amador, W. R. L. Lambrecht, and B. Segall, Phys. Rev. B 46, 1870 (1992).
31. V. Ozoliņš and M. Körling, Phys. Rev. B 48, 18 304 (1993).
32. S. Limpijumnong and W. R. L. Lambrecht, Phys. Rev. B 57, 12 017 (1998).
33. M. S. Miao (unpublished).
34. C. Cheng, R. J. Needs, and V. Heine, J. Phys. C 21, 1049 (1988).