Gradient-corrected density functional calculation of elastic constants of Fe, Co and Ni in bcc, fee and hcp structures

Chinese Journal of Physics

Volumn 38, Issue 5, 2000, Pages 949-961

  Guo, G Y ^a   Wang, H H ^a  

^a NATIONAL TAIWAN UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000348541     PISSN: 05779073     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (21)

1. W. Keune et al., J. Appl. Phys. 48, 2976 (1977).
2. G. A. Prinz, Phys. Rev. Lett. 54, 1051 (1985).
3. B. Heinrich et al., J. Vac. Sci. Technol. A64, 1376 (1986).
4. P. Hohenberg and W. Kohn, Phys. Rev. B136, 864 (1964);
5. W. Kohn and L.J. Sham, Phys. Rev. A140, 1133 (1965).
6. R. O. Jones and O. Gunnarsson, Rev. Mod. Phys. 61, 689 (1989).
7. A. T. Paxton, M. Methfessel and H. M. Polatoglou, Phys. Rev. B41, 8127 (1990).
8. C. S. Wang, B. M. Klein and H. Krakauer, Phys. Rev. Lett. 16, 1852 (1985).
9. G. Y. Guo et al., Solid State Comm. 79, 121 (1991).
10. V. L. Sliwko et al., J. Phys.: Condens. Matter 8, 799 (1996).
11. J. P. Perdew, S. Burke and M. Ernzerhof, Phys. Rev. Lett. 77, (1996) 3865.
12. D. J. Singh, W. E. Pickett and H. Krakauer, Phys. Rev. B43, 11628 (1991).
13. A. T. Paxton, M. Methfessel and H. M. Polatoglou, Phys. Rev. B41, 8127 (1990).
14. A. Y. Liu and D. J. Singh, Phys. Rev. B47, 8515 (1993).
15. C. Kittel, Introduction to Solid State Physics, 7th ed. (Wiley, New York, 1996).
16. F. D. Murnaghan, Proc. Nat. Acad. Sci. U.S.A. 3, 244 (1944).
17. L. Fast et al., Phys. Rev. B51, 17431 (1995).
18. P. Blaha, K. Schwarz, and J. Luitz, WIEN97, Vienna University of Technology 1997.
19. (Improved and updated Unix version of the original copyrighted WIEN-code, which was published by P. Blaha, K. Schwarz, P. Sorantin, and S.B. Trickey, in Comput. Phys. Commun. 59, 399 1990).
20. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980).
21. P. E. Blöchl, O. Jepsen and O. K. Andersen, Phys. Rev. B49, 16223 (1994).