Ab initio study on the structure of Mg-Li alloys

Materials Science Forum

Volumn 350, Issue , 2000, Pages 49-54

  Uesugi, T ^a   Kohyama, M ^b   Kohzu, M ^a   Higashi, K ^a  

^a Osaka Prefecture University   (Japan)

^b OSAKA NATIONAL RESEARCH INSTITUTE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL STRUCTURE; ELASTIC MODULI; LATTICE CONSTANTS; LITHIUM ALLOYS; MOLECULAR DYNAMICS;

AB INITIO PSEUDOPOTENCIAL METHOD; BAND CALCULATION; SUPERCELL TECHNIQUE;

MAGNESIUM ALLOYS;

EID: 0033676516     PISSN: 02555476     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.4028/www.scientific.net/msf.350-351.49     Document Type: Article

References (19)

1. K. Masuda-Jindo and K. Terakura, Phys. Rev. B 39, 7509 (1989)
2. P. Hohenberg and W. Kohn, Phys. Rev. 136, 864 (1964)
3. W. Kohn and L. J. Sham, Phys. Rev. A 140, 1133 (1965)
4. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981)
5. D. M. Bylander, L. Kleinman and S. Lee, Phys. Rev. B 42, 1394 (1990)
6. G. P. Kerker, Phys. Rev. B 23, 3082 (1981)
7. M. Kohyama, Modell. Simul. Mater. Sci. Eng. 4, 397 (1996)
8. N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991)
9. G. B. Bachelet, D. R. Hamann and M. Schluer, Phys. Rev. B 26, 4199 (1982)
10. L. Kleinman and D. M. Bylander, Phys. Rev. Lett. 48, 1425 (1982)
11. S. G. Louie, S. Froyen and M. L. Cohen, Phys. Rev. B 26, 1738 (1982)
12. H. J. Monkhorst and J. D. Park, Phys. Rev. Lett. 48, 1425 (1982)
13. C. L. Fu and K. M. Ho, Phys. Rev. B 28, 5480 (1983)
14. D. F. Shano, Math. Oper. Ress. 3, 244 (1978)
15. O. H. Nielsen and R. M. Martin, Phys. Rev. B 32, 3780 (1985)
16. C. S. Barrett, Acta Crystallogr. 9, 671 (1956)
17. M. S. Anderson and C. A. Swenson, Phys. Rev. B 31, 668 (1985)
18. D. Hardie and R.N. Parkins, Phil. Mag. 4, 815 (1959)
19. A. R. Wazzan and L. B. Robinson, Phys. Rev. 155, 586 (1967)