Elastic properties of rutile TiO2 at high temperature

Chinese Physics Letters

Volumn 24, Issue 9, 2007, Pages 2642-2645

  Wang, Yan Ju ^a   Chang, Jing ^a   Tan, Li Na ^a   Chen, Xiang Rong ^a,b  

^a SICHUAN UNIVERSITY   (China)

^b INTERNATIONAL CENTRE FOR MATERIALS PHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELASTICITY; OXIDE MINERALS; TEMPERATURE DISTRIBUTION; TITANIUM DIOXIDE;

CAMBRIDGE; DENSITY FUNCTION THEORY; ELASTIC PROPERTIES; HIGHEST TEMPERATURE; INCREASING TEMPERATURES; POLYCRYSTALLINE; QUASI-HARMONIC DEBYE MODEL; RUTILE TIO 2; TOTAL ENERGY;

ELASTIC CONSTANTS;

EID: 36348982087     PISSN: 0256307X     EISSN: 17413540     Source Type: Journal    
DOI: 10.1088/0256-307X/24/9/050     Document Type: Article

References (30)

1. Yan M F and Rhodes W W 1981 Grain boundaries in Semiconductors ed Leamy H J, Pike G E and Seager C H (New York: North-Holland)
2. Koudriachova M V et al 2001 Phys. Rev. Lett. 86 1275
3. Ostermann D et al 2005 Phys. Rev. B 71 235416
4. Glassford K M and Chelikowsky J R 1992 Phys. Rev. B 46 1284
5. Muscat J, Swamy V and Harrison N M 2002 Phys. Rev. B 65 224112
6. Isaak D G et al 1998 Phys. Chem. Minerals 26 31
7. Hammer B et al 1999 Phys. Rev. B 59 7413
8. Vosko S H, Wilk L and Nusair M 1980 Can. J. Phys. 58 1200
9. Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188
10. Payne M C et al 1992 Rev. Mod. Phys. 64 1045
11. Milan V et al 2002 Int. J. Quantum Chem. 77 895
12. Murnaghan F D and Acad P N 1944 Proc. Natl. Acad. Sci. USA 30 244
13. Reinhardt P, Hess B A and Causa M 1996 Int. J. Quantum Chem. 58 297
14. Lindan P J D et al 1997 Phys. Rev. B 55 15919
15. Rosciszewski K et al 1998 Phys. Rev. B 57 14667
16. Cho E and Han S 2006 Phys. Rev. B 73 193202
17. Burdett J K et al 1987 J. Am. Chem. Soc. 109 3639
18. Gerward L and Olsen J S 1997 J. Appl. Crystallogr. 30 259
19. Blanco M A, Francisco E and Luana V 2004 Comput. Phys. Commun. 158 57
20. Ogata S, Lyetomi H and Tsurata K 1999 J. Appl. Phys. 86 6
21. Swamy V and Gale J D 2000 Phys. Rev. B 62 9
22. Manghnani M H 1969 J. Geophys. Res. 74 4317
23. Steinle-Neumann G and Stixrude L and Cohen R E 1999 Phys. Rev. B 60 791
24. Voigt W 1928 Lehrbuch der Kristallphysik (Leipzig: Taubner)
25. Reuss A 1929 Z. Angew. Math. Mech. 9 55
26. Hill R 1952 Proc. R. Soc. London A 65 350
27. Anderson O L 1963 J. Phys. Chem. Solids 24 909
28. Pascual J et al 1978 Phys. Rev. B 18 5606
29. Poumelec B et al 1991 J. Phys. Condens. Matter 3 8195
30. Mo S Dand Ching W Y 1994 Phys. Rev. B 51 19