First-principles thermoelasticity of bcc iron under pressure

Physical Review B - Condensed Matter and Materials Physics

Volumn 74, Issue 21, 2006, Pages

  Sha, Xianwei ^a   Cohen, R E ^a  

^a GEOPHYSICAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33845533410     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.74.214111     Document Type: Article

References (34)

1. G. Simmons and H. Wang, Single Crystal Elastic Constants and Calculated Aggregate Properties: A Handbook (M.I.T. Press, Cambridge, MA, 1971).
2. A. E. Lord, Jr. and D. N. Beshers, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1703098 36, 1620 (1965).
3. C. A. Rotter and C. S. Smith, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(66)90032-1 27, 267 (1966).
4. J. Leese and A. E. Lord, Jr., J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1656884 39, 3986 (1968).
5. M. W. Guinan and D. N. Beshers, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(68)90131-5 29, 541 (1968).
6. D. J. Dever, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1661710 43, 3293 (1972).
7. D. G. Isaak and K. Masuda, J. Geophys. Res., [Solid Earth] JGREA2 0148-0227 100, 17689 (1995).
8. A. K. Singh, H. K. Mao, J. Shu, and R. J. Hemley, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.2157 80, 2157 (1998).
9. S. Klotz and M. Braden, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.3209 85, 3209 (2000).
10. I. Jackson, in High Pressure Science and Technology, Colorado Springs, 1993, edited by, S. C. Schmidt,,, J. W. Shaner,,, G. A. Samara, and, M. Ross, (American Institute of Physics, New York, 1994), p. 939.
11. K. J. Caspersen, A. Lew, M. Ortiz, and E. A. Carter, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.115501 93, 115501 (2004).
12. L. Vocadlo, G. A. de Wijs, G. Kresse, M. Gillan, and G. D. Price, Faraday Discuss. FDISE6 0301-7249 10.1039/a701628j 106, 205 (1997).
13. O. L. Anderson, Equations of State of Solids for Geophysics and Ceramic Science (Oxford University Press, New York, 1995).
14. P. Vinet, J. H. Rose, J. Ferrante, and J. R. Smith, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/1/11/002 1, 1941 (1989).
15. P. Vinet, J. Ferrante, J. H. Rose, and J. R. Smith, J. Geophys. Res. JGREA2 0148-0227 92, 9319 (1987).
16. X. Sha and R. E. Cohen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.104303 73, 104303 (2006).
17. O. Gulseren and R. E. Cohen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.064103 65, 064103 (2002).
18. T. H. K. Barron and M. L. Klein, Proc. Phys. Soc. London PPSOAU 0370-1328 10.1088/0370-1328/85/3/313 85, 523 (1965).
19. E. Gregoryanz, R. J. Hemley, H. K. Mao, R. E. Cohen, and P. Gillet, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.079702 90, 079702 (2003).
20. G. Steinle-Neumann, L. Stixrude, and R. E. Cohen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.791 60, 791 (1999).
21. S. Y. Savrasov and D. Y. Savrasov, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.46.12181 46, 12181 (1992).
22. S. Y. Savrasov, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.16470 54, 16470 (1996).
23. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
24. E. Wasserman, L. Stixrude, and R. E. Cohen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.53.8296 53, 8296 (1996).
25. S. Y. Savrasov and D. Y. Savrasov, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.16487 54, 16487 (1996).
26. S. Y. Savrasov, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.69. 2819 69, 2819 (1992).
27. L. Stixrude, R. E. Cohen, and D. J. Singh, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.6442 50, 6442 (1994).
28. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.46. 6671 46, 6671 (1992).
29. P. Soderlind, J. A. Moriarty, and J. M. Wills, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.53.14063 53, 14063 (1996).
30. R. E. Cohen, O. Gulseren, and R. J. Hemley, Am. Mineral. AMMIAY 0003-004X 85, 338 (2000).
31. J. A. Rayne and B. S. Chandrasekhar, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.122.1714 122, 1714 (1961).
32. G. Fiquet, J. Badro, F. Guyot, C. Bellin, M. Krisch, D. Antonangeli, H. Requardt, A. Mermet, D. Farber, C. Aracne-Ruddle, and J. Zhang, Phys. Earth Planet. Inter. PEPIAM 0031-9201 143-144, 5 (2004).
33. J. F. Lin, W. Sturhahn, J. Y. Zhao, G. Y. Shen, H. K. Mao, and R. J. Hemley, Science SCIEAS 0036-8075 10.1126/science.1111724 308, 1892 (2005).
34. C. S. Yoo, J. Akella, A. J. Campbell, H. K. Mao, and R. J. Hemley, Science SCIEAS 0036-8075 270, 1473 (1995).