Mechanical properties and electronic structures of cotunnite TiO 2

Chinese Physics Letters

Volumn 25, Issue 12, 2008, Pages 4356-4359

  Zhao, Jian Zhi ^a   Wang, Guang Tao ^a   Liang, Yong Cheng ^b  

^a INSTITUTE OF PHYSICS   (China)

^b SHANGHAI OCEAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; HARDNESS;

CRYSTALS STRUCTURES; ELECTRONIC.STRUCTURE; FIRST PRINCIPLES; HIGH BULK MODULUS; HIGH HARDNESS; HIGH-PRESSURE PHASIS; PLANE WAVE BASIS; PSEUDOPOTENTIAL CALCULATION; TIO 2; VALENCE ELECTRON DENSITY;

TITANIUM DIOXIDE;

EID: 58449110613     PISSN: 0256307X     EISSN: 17413540     Source Type: Journal    
DOI: 10.1088/0256-307X/25/12/048     Document Type: Article

References (32)

1. Muscat J, Swamy V and Harrison N M 2002 Phys. Rev. B 65 224112
2. Dubrovinskaia N A et al 2001 Phys. Rev. Lett. 87 275501
3. Ahuja R and Dubrovinsky L S 2002 J. Phys.: Condens. Matter 14 10995
4. Mattesini M et al 2004 Phys. Rev. B 70 212101
5. Kim D Y, Almeida J S, Koci L and Ahuja R 2007 Appl. Phys. Lett. 90 171903
6. Zhang Z, Ge Q, Li S C, Kay B D, White J M and Dohnalek Z 2007 Phys. Rev. Lett. 99 126105
7. Park B H, Huang J Y, Li L S and Jia Q X 2002 Appl. Phys. Lett. 80 1174
8. Fresno F, Tudela D, Maira A J, Rivera F, Coronado J M and Soria J 2006 Appl. Organomet. Chem. 20 220
9. Matsumoto Y et al 2001 Science 291 854
10. Swamy V and Muddle B C 2007 Phys. Rev. Lett. 98 035502
11. Liang Y, Zhang B and Zhao J 2008 Phys. Rev. B 77 094126
12. Dubrovinsky L S et al 2001 Nature 410 653
13. Lowther J E 2005 Phys. Rev. B 72 172105
14. Fang Z and Terakura K 2002 J. Phys.: Condens. Matter 14 3001
15. Perdew J P, Wang Y 1992 Phys. Rev. B 45 13244
16. Vanderbilt D 1990 Phys. Rev. B 41 7892
17. Hamann D R, Schluter M and Chaing C 1979 Phys. Rev. Lett. 43 1494
18. Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188
19. Liang Y and Fang Z 2006 J. Phys.: Condens. Matter 18 8749
20. Liang Y and Zhang B 2007 Phys. Rev. B 76 132101
21. Liang Y, Zhao J and Zhang B 2008 Solid State Commun. 146 450
22. Hill R 1953 Proc. Phys. Soc. London 65 350
23. Gerward L and Olsen J S 1997 J. Appl. Crystallogr. 30 259
24. Poirier J P 1991 Introduction to the Physics of the Earth's Interior (Cambridge: Cambridge University)
25. Occelli F et al 2004 Phys. Rev. Lett. 93 095502
26. Born M and Huang K 1956 Dynamical Theory of Crystal Lattices (Clarendon: Oxford)
27. Gao F, He J, Wu E, Liu S, Yu D, Li D, Zhang S and Tian Y 2003 Phys. Rev. Lett. 91 015502
28. Simunek A and Vackar J 2006 Phys. Rev. Lett. 96 085501
29. Simunek A 2007 Phys. Rev. B 75 172108
30. Chen X, Fu C L, Krcmar M and Painter G S 2008 Phys. Rev. Lett. 100 196403
31. Mattesini M, Almeida J S, Dubrovinsky L, Dubrovinskaia N, Johansson B and Ahuja R 2004 Phys. Rev. B 70 115101
32. Glassford K M and Chelikowsky J R 1992 Phys. Rev. B 46 1284