Ab initio calculation of elastic properties of rock-salt and zinc-blend MgS under pressure

Physica B: Condensed Matter

Volumn 403, Issue 12, 2008, Pages 1996-1999

  Yuan, P F ^a   Ding, Z J ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

Ab initio calculation; Elastic properties; High pressure; MgS

Indexed keywords

ACOUSTIC WAVE VELOCITY; DEBYE TEMPERATURE; ELASTIC MODULI; ELASTICITY; POISSON RATIO; PRESSURE EFFECTS; ZINC COMPOUNDS;

AB INITIO CALCULATION; ELASTIC PROPERTIES;

MAGNESIUM COMPOUNDS;

EID: 41949092211     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2007.11.004     Document Type: Article

References (31)

1. Lee B.H. J. Appl. Phys. 44 (1970) 2984
2. Hodgins C.G., and Irwin J.C. Phys. Status Solidi (a) 28 (1975) 647
3. Causa M., Dovesi R., Pisani C., and Roetti C. Phys. Rev. B 33 (1986) 1308
4. Zupan A., Petek I., Causa M., and Dovesi R. Phys. Rev. B 48 (1993) 799
5. Beckstein O., Klepeis J.E., Hart G.L.W., and Pankratov O. Phys. Rev. B 63 (2001) 134112
6. Tse J.S., Klug D.D., Uehara K., Li Z.Q., Haines J., and Leger J.M. Phys. Rev. B 61 (2000) 10029
7. Mutschke H., Begemann B., Dorschner J., and Henning T. Infrared Phys. Technol. 35 (1994) 361
8. Uesugi K., Obinata T., Suemune I., Kumano H., and Nakahara J. Appl. Phys. Lett. 68 (1994) 844
9. Konczewicz L., Biegenwald P., Cloitre T., Chibane M., Ricou R., Testud P., Briot O., and Aulombard R.L. J. Crystal Growth 159 (1996) 117
10. Teraguchi N., Mouri H., Tomomura Y., Suzuki A., Taniguchi H., Rorison J., and Duggan G. Appl. Phys. Lett. 67 (1995) 2945
11. Duman S., Bagc S., Tutuncu H.M., and Srivastava G.P. Phys. Rev. B 73 (2006)
12. Prafulla J.H.A., Sakalle U.K., and Sanyal S.P. J. Phys. Chem. Solids 59 (1998) 599
13. Car R., and Parrinello M. Phys. Rev. Lett. 55 (1985) 2471
14. CPMD, Copyright IBM Corp. 1990-2001, Copyright MPI für Festkörperforschung Stuttgart 1997-2005.
15. Barth V.U., and Hedin L. J. Phys. C: Solid State Phys. 5 (1972) 1629
16. Perdew J.P., and Zuger A. Phys. Rev. B 23 (1981) 5048
17. Gonze X., Stumpf R., and Scheffler M. Phys. Rev. B 44 (1991) 8503
18. Troullier N., and Martins J.L. Phys. Rev. B 43 (1991) 1993
19. Wang S.Q., and Ye H.Q. J. Phys.: Condens. Matter 15 (2003) 5307
20. Murnaghan F.D. Proc. Natl. Acad. Sci. USA 30 (1994) 244
21. Wyckoff R.W.G. Crystal Structures (1963), Wiley, New York
22. Rached D., Benkhettou N., Soudini B., Abbar B., Sekkal N., and Driz M. Phys. Status Solidi (b) 240 (2003) 565
23. Drief F., Tadjer A., Mesri D., and Aourag H. Catal. Today 89 (2004) 11343
24. Wdowik U.D., Parlinski K., and Siegel A. J. Phys. Chem. Solids 67 (2006) 1477
25. Drymiotis F.R., Ledbetter H., Betts J.B., Kimura T., Lashley J.C., Migliori A., Ramirez A.P., Kowach G.R., and Van Duijn J. Phys. Rev. Lett. 93 (2004) 025502
26. Garbulsky G.D., and Ceder G. Phys. Rev. B 53 (1996) 8993
27. Anderson O.L. J. Phys. Chem. Solids 24 (1963) 909
28. Kiefer B., Stixrude L., Hafner J., and Kresse G. Am. Mineral. 86 (2001) 1387
29. Wolverson D., Bird D.M., Bradford C., Prior K.A., and Cavenett B.C. Phys. Rev. B 64 (2001) 113203
30. Prafulla K.J., and Talati M. Phys. Status Solidi (b) 239 (2003) 291
31. Sinko G.V., and Smirnow N.A. J. Phys.: Condens. Matter 14 (2002) 6989