First-principles elastic constants for the hcp transition metals Fe, Co, and Re at high pressure

Physical Review B - Condensed Matter and Materials Physics

Volumn 60, Issue 2, 1999, Pages 791-799

  Steinle Neumann, Gerd ^a   Stixrude, Lars ^a   Cohen, Ronald E ^b  

^a UNIVERSITY OF MICHIGAN   (United States)

^b GEOPHYSICAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001191459     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.60.791     Document Type: Article

References (49)

1. I. Jackson, S. K. Revcolevschi, and J. Berthon, J. Geophys. Res. 95, 21 671 (1990).
2. H. Shimizu, M. Ohnishi, S. Sasaki, and Y. Ishibashi, Phys. Rev. Lett. 74, 2820 (1995).
3. K. C. Creager, Nature (London). 356, 309 (1992).
4. J. Tromp, Nature (London). 366, 678 (1993).
5. L. Stixrude and R. E. Cohen, Science. 267, 1972 (1995).
6. X. Song and P. G. Richards, Nature (London). 382, 221 (1996).
7. R. Jeanloz, B. K. Godwal, and C. Meade, Nature (London). 349, 687 (1991).
8. A. P. Jephcoat, H. K. Mao, and P. M. Bell, J. Geophys. Res. 91, 4677 (1986).
9. H. K. Mao, Y. Wu, L. C. Chen, J. F. Shu, and A. P. Jephcoat, J. Geophys. Res. 95, 21 737 (1990).
10. A. K. Singh, H. K. Mao, J. Shu, and R. J. Hemley, Phys. Rev. Lett. 80, 2157 (1998).
11. H. K. Mao, J. Shu, G. Shen, R. J. Hemley, B. Li, and A. K. Singh, Nature (London). 396, 741 (1998); (erratum) (to be published).
12. H. Fujihisa and K. Takemura, Phys. Rev. B. 54, 5 (1996).
13. H. R. Schober and H. Dederichs, in Elastic Piezoelectric Pyroelectric Piezooptic Electrooptic Constants and Nonlinear Dielectric Susceptibilities of Crystals, edited by K.-H. Hellwege and A. W. Hellwege, Landolt Börnstedt, New Series III, Vol. 11a (Springer, Berlin, 1979).
14. Y. K. Vohra, S. J. Duclos, and A. L. Ruoff, Phys. Rev. B. 36, 9790 (1987).
15. M. H. Manghnani, K. Katahara, and E. S. Fisher, Phys. Rev. B. 9, 1421 (1974).
16. T. S. Duffy, et al., in High Pressure Materials Research, edited by R. M. Wentzcovitch, R. J. Hemley, W. J. Nellis, and P. Y. Yu, MRS Symposia Proceedings No. 499 (Materials Research Society, Pittsburgh, 1998), p. 145.
17. C. S. Wang, B. M. Klein, and H. Krakauer, Phys. Rev. Lett. 54, 1852 (1985).
18. J. P. Perdew and Y. Wang, Phys. Rev. B. 33, 8800 (1986).
19. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, D. J. Singh, and C. Fiolhais, Phys. Rev. B. 46, 6671 (1992).
20. J. Perdew, K. Burke, and M. Ernzhofer, Phys. Rev. Lett. 77, 3865 (1996).
21. P. Bagno, O. Jepsen, and O. Gunnarsson, Phys. Rev. B. 40, 1997 (1989).
22. T. Asada and K. Terakura, Phys. Rev. B. 46, 13 599 (1992).
23. L. Stixrude, R. E. Cohen, and D. J. Singh, Phys. Rev. B. 50, 6442 (1994).
24. P. Söderlind, J. A. Moriarty, and J. M. Wills, Phys. Rev. B. 53, 14 063 (1996).
25. R. E. Cohen, L. Stixrude, and E. Wasserman, Phys. Rev. B. 56, 8575 (1997).
26. B. I. Min, T. Oguchi, and A. J. Freeman, Phys. Rev. B. 33, 7852 (1986).
27. T. C. Leung, C. T. Chan, and B. N. Harmon, Phys. Rev. B. 44, 2923 (1991).
28. L. Fast, J. M. Wills, B. Johansson, and O. Eriksson, Phys. Rev. B. 51, 17 431 (1995).
29. D. J. Singh, Planewaves, Pseudopotentials and the LAPW Method (Kluwer, Norwell, 1994).
30. L. Hedin and B. I. Lundquist, J. Phys. C. 4, 2064 (1971).
31. U. von Barth and L. Hedin, J. Phys. C. 5, 1629 (1972).
32. F. Birch, J. Geophys. Res. 95, 227 (1952).
33. H. J. Monkhorst and J. D. Park, Phys. Rev. B. 13, 5188 (1976).
34. D. J. Wallace, Thermodynamics of Crystals (Wiley, New York, 1972).
35. T. H. K. Barron and M. L. Klein, Proc. Phys. Soc. London. 85, 523 (1965).
36. M. Nastar and F. Willaime, Phys. Rev. B. 51, 6896 (1995).
37. M. J. Mehl, Phys. Rev. B. 47, 2493 (1993).
38. R. Hill, J. Mech. Phys. Solids. 11, 357 (1963).
39. H. P. Meyer and W. Sucksmith, Proc. R. Soc. London, Ser. A. 207, 427 (1951).
40. M. Uhl and J. Kübler, J. Phys.: Condens. Matter. 9, 7885 (1997).
41. R. D. Taylor, M. P. Pasternak, and R. Jeanloz, J. Appl. Phys. 69, 6126 (1991).
42. M. Maurer, et al., J. Magn. Magn. Mater. 93, 15 (1991).
43. M. C. Saint-Lager, D. Raoux, M. Brunel, M. Piecuch, M. Elkaim, and J. P. Lauriat, Phys. Rev. B. 51, 2446 (1995).
44. D. Knab and C. Koenig, J. Magn. Magn. Mater. 93, 398 (1991).
45. B. Barbiellini, E. G. Moroni, and T. Jarlborg, J. Phys.: Condens. Matter. 2, 7597 (1990).
46. M. Körling and J. Häglund, Phys. Rev. B. 45, 13 293 (1992).
47. M. Born and K. Huang, Dynamical Theory of Crystal Lattices (Clarendon, Oxford, 1954).
48. S. P. Marsh, LASL Shock Hugoniot Data (University of California Press, Berkeley, 1980).
49. C. Kittel, Introduction to Solid State Physics (Wiley, New York, 1976).