Effect of pressure on the structural and elastic properties of ZnS and MgS alloys in the B3 and B1 phases

Materials Letters

Volumn 61, Issue 10, 2007, Pages 1978-1981

  Ali Sahraoui, F ^a   Zerroug, S ^a   Louail, L ^a   Maouche, D ^a  

^a FERHAT ABBAS UNIVERSITY   (Algeria)

Author keywords

Density functional theory; Elastic stiffness coefficients; Pressure effects; Semiconductor compounds; Transition phase

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; HYDROSTATIC PRESSURE; MAGNESIUM ALLOYS; PHASE EQUILIBRIA; PRESSURE EFFECTS;

ELASTIC STIFFNESS COEFFICIENTS; FIRST PRINCIPLES CALCULATIONS; SEMICONDUCTOR COMPOUNDS; TRANSITION PHASE;

ZINC SULFIDE;

EID: 33947407650     PISSN: 0167577X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.matlet.2006.07.170     Document Type: Article

References (22)

1. Bilz H., and Kress W. Phonon Dispersion Relations in Insulators (1979), Springer, Berlin
2. Zahlenwerte und Funktionens Naturwissenschaj und Technik, Landolt-Borstein, New Series vol. III, 13a (1981), Springer, Berlin
3. Lodziana Z., Parlinski K., and Hafner J. Phys. Rev., B 63 (2001) 134106
4. Martins J.L., Troullier N., and Wei S.H. Phys. Rev., B 43 (1991) 2213
5. Rabah M., Abbar B., Al-Douri Y., Bouhafs B., and Sahraoui B. Mater. Sci. Eng., B 100 (2003) 163-171
6. Lee S.-G., and Chang K.J. Phys. Rev., B 52 (1995) 1918
7. Segall M.D., Lindan P.J.D., Probert M.J., Pickard C.J., Hasniq P.J., Clark S.J., and Payne M.C. Condens. Matter 14 (2002) 2717-2744
8. Hohenberg P., and Kohn W. Phys. Rev., B 36 (1964) 864
9. Kohn W., and Sham L.J. Phys. Rev., A 140 (1965) 1133B
10. Jones R.O., and Gunnarsson O. Rev. Mod. Phys. 61 (1989) 689
11. Driezler R.M., and Gross E.K.U. Density Functional Theory-an Approach to the Quantum Many-Body Problem (1990), Springer-Verlag, Berlin
12. Andriottis N.A. Phys. Rev., B 58 (1998) 15300
13. Perdew J.P., and Zunger A. Phys. Rev., B 23 (1981) 5048
14. Perdew J.P., and Wang Y. Phys. Rev., B 33 (1986) 8800
15. Engel E., and Vosko S.H. Phys. Rev., B 47 (1993) 13164
16. Perdew J.P., Chevary J.A., Vosko S.H., Jakson K.A., Pederson M.R., Singh D.J., and Fiolhais C. Phys. Rev., B 46 (1992) 6671-6687
17. Jaffe J.E., Pandey R., and Seel M.J. Phys. Rev., B 47 (1993) 6299
18. Drief F., Tadjer A., Mersi D., and Aourag H. Catal. Today 89 (2004) 343-355
19. Casali R.A., et al. Solid State Commun. 108 10 (1998) 793-798
20. Kalpana G., Palanivel B., Thomas R.M., and Rajagopalan M. Physica B 222 (1996) 223-228
21. Narayana C., Nesamony V.J., and Ruoff A.L. Phys. Rev., B 56 (1997) 14338
22. Bouamama K., Lebgaa N., and Kassali K. High Press. Res. 25 (2005) 217-225