A first-principles pseudopotential study of the compressibility of ∈-FeSi

Solid State Communications

Volumn 108, Issue 1, 1998, Pages 11-15

  Qteish, A ^a   Shawagfeh, N ^a  

^a YARMOUK UNIVERSITY   (Jordan)

Author keywords

A. semiconductors; D. crystal binding and equation of state

Indexed keywords

APPROXIMATION THEORY; COMPRESSIBILITY OF SOLIDS; CRYSTAL STRUCTURE; ELASTIC MODULI; EQUATIONS OF STATE OF SOLIDS;

BULK MODULUS; CUBIC IRON SILICIDE; GENERALIZED GRADIENT APPROXIMATION; LOCAL DENSITY APPROXIMATION;

SEMICONDUCTING SILICON COMPOUNDS;

EID: 0032138379     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0038-1098(98)00306-8     Document Type: Article

References (24)

1. See for instance, Anisimov, V.I., Ezhov, S.Y. and Solovyev, I.V., Phys. Rev. Lett., 76, 1996, 1735.
2. Knittle, E. and Williams, Q., Geophys. Res. Lett., 22, 1995, 445.
3. Guyot, F. and Zhang, J., TERRA Nova (Abstract Suppl. No. 1) 7, 1995, 84.
4. Guyot, F., Zhang, J., Martinez, I., Matas, J., Ricard, Y. and Javoy, M., Eur. J. Mineral., 9, 1997, 277.
5. Wood, I.G., Chaplin, T.D., David, W.I.F., Hull, S., Price, G.D. and Street, J.N., J. Phys.: Condens. Matter., 7, 1995, L475.
6. Zinov'eva, G.P., Andreeva, L.P. and Gel'd, P.V., Phys. Status Solidi, A23, 1974, 711.
7. Sarrao, J.L., Mandrus, D., Migliori, A., Fisk, Z. and Bucher, E., Physica, B199&200, 1992, 907.
8. See for example, Pickett, W.E., Computer Physics Reports, 9, 1989, 115.
9. Zhu, J., Wang, X.W. and Louie, S.G., Phys. Rev., B45, 1992, 8887.
10. Teter, M.P., Payne, M.C. and Allen, D.C., Phys. Rev., B40, 1989, 12255.
11. Monkhorst, H.J. and Pack, L.D., Phys. Rev., B13, 1976, 5188.
12. Elsässer, C., Fähnle, M., Chan, C.T. and Ho, K.M., Phys. Rev., B49, 1994, 13975.
13. Perdew, J.P. and Zunger, A., Phys. Rev., B23, 1981, 5048.
14. Perdew, J.P., in Electronic Structure of Solids 91 (Edited by P. Ziesche and H. Eschrig), p. 11. Akademie Verlag, Berlin, 1991.
15. Kerker, G.P., J. Phys., C13, 1980, L189.
16. Kleinman, L. and Bylander, D.M., Phys. Rev. Lett., 48, 1982, 1425.
17. Rappe, A.M., Rabe, K.M., Kaxiras, E. and Joannopoulos, J.D., Phys. Rev., B41, 1990, 1227; Lin, J.S., Qteish, A., Payne, M.C. and Heine, V., Phys. Rev., B47, 1993, 4174.
18. Rappe, A.M., Rabe, K.M., Kaxiras, E. and Joannopoulos, J.D., Phys. Rev., B41, 1990, 1227; Lin, J.S., Qteish, A., Payne, M.C. and Heine, V., Phys. Rev., B47, 1993, 4174.
19. Louie, S.G., Froyen, S. and Cohen, M.L., Phys., B26, 1982, 1738.
20. Poirier, J.P., Introduction to the Physics of the Earth's Interior. Cambridge University Press, Cambridge, 1991.
21. For both LDA and GGA calculations, see for example, (a) Khein, A., Singh, D.J. and Umrigar, C.J., Phys. Rev., B51, 1995, 4105; (b) Filippi, C., Singh, D.J. and Umrigar, C.J., Phys. Rev., B50, 1994, 14947.
22. For both LDA and GGA calculations, see for example, (a) Khein, A., Singh, D.J. and Umrigar, C.J., Phys. Rev., B51, 1995, 4105; (b) Filippi, C., Singh, D.J. and Umrigar, C.J., Phys. Rev., B50, 1994, 14947.
23. García, A., Elsässer, C., Zhu, J., Louie, S.G. and Cohen, M.L., Phys. Rev., B46, 1992, 9829.
24. Körling, M. and Häglund, J., Phys. Rev., B45, 1992, 13293.