Could the relaxed and the O-deficient CrO2 (100) surface retain half-metallicity?

Applied Physics Letters

Volumn 88, Issue 12, 2006, Pages

  Hong, Feng ^a   Che, J G ^a  

^a FUDAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

METALLIC COMPOUNDS; SURFACE PHENOMENA; SURFACE PROPERTIES;

FIRST PRINCIPLES STUDY; HALF METALLICITY; HUND'S RULE; O DEFICIENT;

CHROMIUM COMPOUNDS;

EID: 33645506338     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2188045     Document Type: Article

References (24)

1. K.-H. Schwarz, J. Phys. F: Met. Phys. 16, L211 (1986).
2. J. M. D. Coey and M. Venkatesan, J. Appl. Phys. 91, 8345 (2002).
3. H. van Leuken and R. A. de Groot, Phys. Rev. B 51, 7176 (1995).
4. M. A. Korotin and V. I. Anisimov, Phys. Rev. Lett. 80, 4305 (1998).
5. C. B. Stagarescu, X. Su, D. E. Eastman, K. N. Altmann, F. J. Himpsel, and A. Gupta, Phys. Rev. B 61, R9233 (2000).
6. C. F. Chang, D. J. Huang, A. Tanaka, G. Y. Guo, S. C. Chung, S.-T. Kao, S. G. Shyu, and C. T. Chen, Phys. Rev. B 71, 052407 (2005).
7. K. P. Kämper, W. Schmitt, and G. Güntherodt, Phys. Rev. Lett. 59, 2788 (1987).
8. R. J. Soulen, J. M. Byers, M. S. Osofsky, B. Nadgorny, T. Ambrose, S. F. Cheng, P. R. Broussard, C. T. Tanaka, J. Nowak, J. S. Moodera, A. Barry, and J. M. D. Coey, Science 282, 85 (1998).
9. Y. Ji, G. J. Strijkers, F. Y. Yang, C. L. Chien, J. M. Byers, A. Anguelouch, G. Xiao, and A. Gupta, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.86.5585 86, 5585 (2001); A. Anguelouch, A. Gupta, G. Xiao, D. W. Abraham, Y. Ji, S. Ingvarsson, and C. L. Chien, Phys. Rev. B 0163-1829 10.1103/PhysRevB.64.180408 64, 180408 (2001); G. Miao, G. Xiao, and A. Gupta, Phys. Rev. B 71, 094418 (2005).
10. Y. Ji, G. J. Strijkers, F. Y. Yang, C. L. Chien, J. M. Byers, A. Anguelouch, G. Xiao, and A. Gupta, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.86.5585 86, 5585 (2001); A. Anguelouch, A. Gupta, G. Xiao, D. W. Abraham, Y. Ji, S. Ingvarsson, and C. L. Chien, Phys. Rev. B 0163-1829 10.1103/PhysRevB.64.180408 64, 180408 (2001); G. Miao, G. Xiao, and A. Gupta, Phys. Rev. B 71, 094418 (2005).
11. Y. Ji, G. J. Strijkers, F. Y. Yang, C. L. Chien, J. M. Byers, A. Anguelouch, G. Xiao, and A. Gupta, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.86.5585 86, 5585 (2001); A. Anguelouch, A. Gupta, G. Xiao, D. W. Abraham, Y. Ji, S. Ingvarsson, and C. L. Chien, Phys. Rev. B 0163-1829 10.1103/PhysRevB.64.180408 64, 180408 (2001); G. Miao, G. Xiao, and A. Gupta, Phys. Rev. B 71, 094418 (2005).
12. Y. S. Dedkov, M. Fonine, C. König, U. Rüdiger, and G. Güntherodt, Appl. Phys. Lett. 80, 4181 (2002).
13. G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996); G. Kresse and J. Furthmüer, Comput. Sci. 6, 15 (1996).
14. G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996); G. Kresse and J. Furthmüer, Comput. Sci. 6, 15 (1996).
15. P. E. Blöchl, Phys. Rev. B 50, 17953 (1994).
16. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999).
17. J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992).
18. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992).
19. P. Porta, M. Marezio, J. P. Remeika, and P. D. Dernier, Mater. Res. Bull. 7, 157 (1972).
20. E. Kulatov and I. I. Mazin, J. Phys.: Condens. Matter 2, 343 (1990).
21. S. P. Lewis, P. B. Allen, and Taizo Sasaki, Phys. Rev. B 55, 10253 (1997).
22. N. E. Brener, J. M. Tyler, J. Callaway, D. Bagayoko, and G. L. Zhao, Phys. Rev. B 61, 16582 (2000).
23. F. A. Cotton, The Crystal Field Theory, Chemical Applications of Group Theory, 3rd ed. (Wiley, New York, 1990).
24. F. Hong and J. G. Che (unpublished).