First-principles study of high pressure structure phase transition and elastic properties of titanium

Solid State Sciences

Volumn 12, Issue 8, 2010, Pages 1473-1479

  Hao, Yanjun ^a   Zhu, Jun ^a   Zhang, Lin ^b   Qu, Jianying ^a   Ren, Haisheng ^a  

^a SICHUAN UNIVERSITY   (China)

^b RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

Elastic properties; First principles study; Phase transition; Ti

Indexed keywords

BINDING INTERACTION; CALF THYMUS DNA (CT-DNA); COBALT COMPLEXES; COMPRESSIONAL; DUCTILE BEHAVIOR; ELASTIC PROPERTIES; EXPERIMENTAL VALUES; FIRST-PRINCIPLES STUDY; GENERALIZED GRADIENT APPROXIMATIONS; HIGH PRESSURE; HIGH-PRESSURE STRUCTURES; PERDEW-BURKE-ERNZERHOF; POLYCRYSTALLINE; PROJECTOR AUGMENTED WAVES; SCHIFF-BASE LIGANDS; SHEAR MODULUS; SHEAR WAVE VELOCITY; STRUCTURAL PHASE TRANSITION; THEORETICAL CALCULATIONS; TRANSITION PRESSURE; WATERSOLUBLE; WHOLE PRESSURE RANGES;

BINDING ENERGY; COBALT; COBALT COMPOUNDS; DNA; ELASTICITY; FUNCTIONAL GROUPS; GENES; TITANIUM;

PHASE TRANSITIONS;

EID: 77955417854     PISSN: 12932558     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.solidstatesciences.2010.06.010     Document Type: Article

References (42)

1. Y.K. Vohra, and P.T. Spencer Phys. Rev. Lett. 86 2001 3068
2. H.L. Skriver Phys. Rev. B 31 1985 1909
3. S. Sikka, Y. Vohra, and R. Chidambaram Prog. Mater. Sci. 27 1982 245
4. A. Jayaraman, W. Clement, and G. Kennedy Phys. Rev. Lett. 131 1963 644
5. H. Xia, G. Parthsarthy, H. Luo, Y.K. Vohra, and A. Ruoff Phys. Rev. B 42 1990 6736
6. Y. Akahama, H. Kawamura, and T.L. Bihan J. Phys.: Condens. Matter 14 2002 10583
7. Y. Akahama, H. Kawamura, and T.L. Bihan Phys. Rev. Lett. 87 2001 275503
8. A. Kutzar Pis'ma Zh. Eksp. Teor. Fiz. 35 1982 91
9. R. Ahuja, J.M. Wills, B. Johansson, and O. Eriksson Phys. Rev. B 48 1993 16269
10. K.D. Joshi, G. Jyoti, S.C. Gupta, and S.K. Sikka Phys. Rev. B 65 2002 052106
11. Y.Z. Nie, Lattice stability and thermal properties of metals from first principles, Thesis, Central South Univ, 2007.
12. A.L. Kutepov, and S.G. Kutepova Phys. Rev. B 67 2003 132102
13. A.K. Verma, P. Modak, R.S. Rao, B.K. Godwal, and R. Jeanloz Phys. Rev. B 75 2007 014109
14. Z.G. Mei, S.L. Shang, Y. Wang, and Z.K. Liu Phys. Rev. B 79 2009 134102
15. A. Bouhemadoua, and R. Khenata Phys. Lett. A 25 2006 339
16. L. Louail, D. Maouche, A. Roumili, and F.A. Sahraoui Mater. Lett. 58 2004 2975
17. D.J. Oh, and R.A. Johnson J. Mater. Res. 3 1988 471
18. M.I. Baskes, and R.A. Johnson Model. Simulat. Mater. Sci. Eng. 2 1994 147
19. G. Kresse, and D. Joubert Phys. Rev. B 58 1999 1758
20. P.E. Blöchl Phys. Rev. B 50 1994 17953
21. G. Kresse, and J. Furthmüller Phys. Rev. B 54 1996 11169
22. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
23. H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
24. P.E. Blöchl, O. Jepsen, and O.K. Andersen Phys. Rev. B 49 1994 16223
25. G.V. Sin'ko, and N.A. Smirnov J. Phys.: Condens. Matter 14 2002 6989
26. Y.J. Hao, X.R. Chen, H.L. Cui, and Y.L. Bai Physica B 382 2006 118
27. Y.J. Hao, L. Zhang, X.R. Chen, Y.H. Li, and H.L. He J. Phys.: Condens. Matter 20 2008 235230
28. D. Errandonea, Y. Meng, M. Somayazulu, and D. Häusermann Physica B 355 2005 116
29. J.Z. Zhang, Y. Zhao, R.S. Hixson, G.T. Gray, L.P. Wang, W. Utsumi, S. Hiroyuki, and H. Takanori Phys. Rev. B 78 2008 054119
30. H. Ogi, S. Kai, H. Ledbetter, R. Tarumi, M. Hirao, and K. Takashima Acta Mater. 52 2004 2075
31. S.P. Rudin, M.D. Jones, and R.C. Albers Phys. Rev. B 69 2004 094117
32. G. Simmons, and H. Wang Single Crystal Elastic Constants and Calculated Aggregate Properties: A Handbook second ed. 1971 MIT Press Cambridge
33. J.F. Nye Physical Properties of Crystals 1985 Oxford University Press Oxford
34. R. Hill Proc. Phys. Soc., London 65 1952 350
35. J.P. Watt, and L. Peselnick J. Appl. Phys. 51 1980 1525
36. M. Nakamura Intermetallic Compounds: Principles 1994 Wiley New York
37. S.F. Pugh Philos. Mag. 45 1954 823
38. I.N. Frantsevich, F.F. Voronov, and S.A. Bokuta Elastic Constants and Elastic Moduli of Metals and Insulators: Handbook 1983 Naukova Dumka Kiev pp. 60
39. M.A. Auld Acoustic Fields and Waves in Solids 1973 Wiley New York
40. G. Steinle-Neumann, L. Stixrude, and R.E. Cohen Phys. Rev. B 60 1999 791
41. O.L. Anderson J. Phys. Chem. Solids 24 1963 909
42. I.S. Grigoryev, and E.Z. Meilihov Handbook of Physical Values 1991 Energoatomizdat Mosco