First-principles study of orthorhombic perovskites MgSiO3 up to 120 GPa and its geophysical implications

Chinese Physics Letters

Volumn 23, Issue 8, 2006, Pages 2334-2337

  Deng, Li Wei ^a   Zhao, Ji Jun ^a,b   Ji, Guang Fu ^c   Gong, Zi Zheng ^a,d   Wei, Dong Qing ^e,f  

^a SOUTHWEST JIAOTONG UNIVERSITY   (China)

^b DALIAN UNIVERSITY OF TECHNOLOGY   (China)

^c INSTITUTE OF FLUID PHYSICS   (China)

^d BEIJING INSTITUTE OF SPACECRAFT SYSTEM ENGINEERING   (China)

^e SHANGHAI JIAO TONG UNIVERSITY   (China)

^f Dept of Electrical and Computer Engineering   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ACOUSTIC WAVE VELOCITY; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; LATTICE CONSTANTS; PEROVSKITE; SILICON COMPOUNDS; TEMPERATURE; WAVE PROPAGATION;

BULK WAVES; FIRST PRINCIPLES; FIRST-PRINCIPLE STUDY; GEOPHYSICAL IMPLICATIONS; HIGH PRESSURE BEHAVIOUR; LOWER MANTLE; MASS DENSITIES; ORTHORHOMBIC PEROVSKITE; PEROVSKITE CRYSTAL; WAVE VELOCITY;

MAGNESIUM COMPOUNDS;

EID: 33746390471     PISSN: 0256307X     EISSN: 17413540     Source Type: Journal    
DOI: 10.1088/0256-307X/23/8/101     Document Type: Article

References (26)

1. Mao H K, Hemley R J, Fei Y W, Shu J F, Chen L C, Jephcoat A P and Wu Y 1991 J. Geophys. Res. 96 8069a
2. Wang Y B, Weidner D J, Liebermann R C and Zhao Y 1994 Phys. Earth Planet. Inter. 83 13
3. Fiquet G, Dewaele A, Andrault D, Kunz M and Bihan T L 2000 Geophys. Res. Lett. 27 21
4. Li B S and Zhang J Z 2005 Phys. Earth Planet. Inter. 151 143
5. McQueen R C, Marsh S P and Fritz J N 1967 J. Geophys. Res. 72 4999
6. Watt J R and Ahrens T J 1986 J. Geophys. Res. 91 7495
7. Gong Z Z, Fei Y W, Dai F, Zhang L and Jing F Q 2004 Geophys. Res. Lett. 31 L04614
8. Wentzcovitch R M, Karki B B, Cococcioni M and Gironcoli S de 2004 Phys. Rev. Lett. 92 018501
9. Oganov A R, Brodholt J P and Price G D 2001 Earth Planet. Sci. Lett. 184 555
10. Dziewonski A M and Anderson D L 1981 Phys. Earth Planet. Inter. 25 297
11. Payne M C, Teter M P, Allen D C, Arias T A and Joannopoulos J D 1992 Rev. Mod. Phys. 64 1045
12. Gonze X, Beuken J M, Caracas R, Detraux F, Fuchs M, Rignanese G M, Sindic L, Verstraete M, Zerah G, Jollet F, Torrent M, Roy A, Mikami M, Ghosez Ph, Raty J Y and Allan D C 2002 Comput. Mater. Sci. 25 478
13. Perdew J P and Wang Y 1992 Phys. Rev. B 45 13244
14. Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188
15. Troullier N and Martins J L 1991 Phys. Rev. B 43 1993
16. Teter M 1993 Phys. Rev. B 48 5031
17. Wentzcovitch R M, Martins J L and Price G D 1993 Phys. Rev. Lett. 70 3947
18. Wentzcovitch R M, Ross N L and Price G D 1995 Phys. Earth Planet. Inter. 90 101
19. Gong Z Z, Xie H S, Jing F Q, Liu Y G, Guo J and Xu J A 2000 Chin. Phys. Lett. 17 218
20. Anderson O L, Oda H and Isaak D G 1992 Geophys. Res. Lett. 19 1987
21. Birch F 1978 J. Geophys. Res. 83 1257
22. Anderson O L and Masuda K A 1994 Phys. Earth Planet. Inter. 85 227
23. Anderson O L 1999 Am. Miner. 83 23
24. Saxena S K, Dubrovinsky L S, Tutti F and Bihan T L 1999 Am. Miner. 84 226
25. Stixrude L, Hemley R J, Fei Y W and Mao H K 1992 Science 257 1099
26. Murakami M, Hirose K, Kawamura K, Sata N and Ohishi Y 2004 Science 304 855