Ab initio lattice dynamics calculation of vibrational density of states and Raman active modes of the olivine mineral Ni2SiO4

Journal of Physics Condensed Matter

Volumn 20, Issue 28, 2008, Pages

  Zbiri, Mohamed ^a   Fennell, Tom ^b   Taylor, Jon W ^c   Enderle, Mechthild ^a   Lau, Garret C ^d   Cava, Robert J ^d   Johnson, Mark R ^a  

^a INSTITUT LAUE LANGEVIN   (France)

^b LONDON CENTRE FOR NANOTECHNOLOGY   (United Kingdom)

^c RUTHERFORD APPLETON LABORATORY   (United Kingdom)

^d PRINCETON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL LATTICES; DYNAMICS; GARNETS; LATTICE VIBRATIONS; MINERALOGY; MINERALS; MINING; NICKEL; NICKEL ALLOYS; OLIVINE; SILICA; SOLIDS;

AB INITIO; LATTICE DYNAMICS; RAMAN-ACTIVE MODES; VIBRATIONAL DENSITY OF STATES (VDOS);

SILICATE MINERALS;

EID: 47249120354     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/20/28/285203     Document Type: Article

References (29)

1. Fennie C J and Rabe K M 2006 Phys. Rev. Lett. 96 205505
2. Sushkov A B, Tchernyshyov O, Ratcliff W II, Cheong S W and Drew H D 2005 Phys. Rev. Lett. 94 137202
3. Chan K T, Sau J D, Zhang P and Cohen M L 2007 Phys. Rev. B 75 054304
4. Tchernyshyov O, Moessner R and Sondhi S L 2002 Phys. Rev. B 66 064403
5. Robie R A, Hemingway B S, Ito J and Krupka K M 1984 Am. Mineral. 69 1096
6. Gaisler S V and Kolesov B A 2007 J. Struct. Chem. 48 61
7. Burnley P C, Bassett W A and Wu T C 1995 J. Geophys. Res. 100 17715
8. Akaogi M, Ross N L, McMillan P and Navrotsky A 1984 Am. Mineral. 69 499
9. Akimoto S, Fujisawa H and Katsura T 1965 J. Geophys. Res. 70 1969
10. Tarte P and Ringwood A E 1962 Nature 193 971
11. Yamanaka T and Ishii M 1986 Phys. Chem. Minerals 13 156
12. Lin C C 2001 J. Solid State Chem. 157 102
13. Newnham R, Santoro R, Fang J and Nomura S 1965 Acta Crystallogr. 19 147
14. Hagemann I S, Khalifah P G, Ramirez A P and Cava R J 2000 Phys. Rev. B 62 R771
15. Jiang X and Guo G Y 2004 Phys. Rev. B 69 155108
16. Cococcioni M, Corso A D and de Gironcoli S 2003 Phys. Rev. B 67 094106
17. Parlinski K, Li Z Q and Kawazoe Y 1997 Phys. Rev. Lett. 78 4063
18. Hohenberg P and Kohn W 1964 Phys. Rev. 136 B864
19. Kohn W and Sham L J 1965 Phys. Rev. 140 A1133
20. www.isis.rl.ac.uk
21. Blöchl P E 1994 Phys. Rev. B 50 17953
22. Kresse G and Furthmüller J 1996 Comput. Mater. Sci. 6 15
23. Kresse G and Joubert D 1999 Phys. Rev. B 59 1758
24. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
25. Perdew J P, Burke K and Ernzerhof M 1997 Phys. Rev. Lett. 78 1396
26. Dudarev S L, Botton G A, Savrasov S Y, Humphreys C J and Sutton A P 1998 Phys. Rev. B 57 1505
27. Anisimov V I, Zaanen J and Andersen O K 1991 Phys. Rev. B 44 943
28. Della Giusta A, Ottonello G and Secco L 1990 Acta Crystallogr. B 46 160
29. Parlinksi K 2003 software phonon