High-pressure boron hydride phases

Physical Review B - Condensed Matter and Materials Physics

Volumn 56, Issue 9, 1997, Pages 5148-5155

  Barbee, T ^a   McMahan, A ^a   Klepeis, J ^a   van Schilfgaarde, M ^b  

^a LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

^b SRI INTERNATIONAL   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0043089523     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.56.5148     Document Type: Article

References (28)

1. C. Mailhiot, J. B. Grant, and A. K. McMahan, Phys. Rev. B 42, 9033 (1990).
2. A. K. McMahan, Physica B 139&140, 31 (1986).
3. This argument was first applied to the rare earth row of the Periodic Table by B. Johansson and A. Rosengren, Phys. Rev. B 11, 2836 (1975).
4. I. F. Silvera, in Simple Molecular Systems at Very High Density, edited by A. Polian, P. Loubeyre, and N. Boccara (Plenum, New York, 1989), p. 33.
5. H. K. Mao and R. J. Hemley, Rev. Mod. Phys. 66, 671 (1994).
6. R. W. G. Wyckoff, Crystal Structures, 2nd ed. (Wiley, New York, 1963).
7. C. E. Housecroft, Boranes and Metalloboranes (John Wiley, New York, 1990).
8. J. W. Turley and H. W. Rinn, Inorg. Chem. 8, 18 (1969).
9. B. Baranowski, H. D. Hochheimer, K. Strössner, and W. Hönle, J. Less-Common Met. 113, 341 (1985).
10. J. Donohue, The Structures of the Elements (Wiley, New York, 1974).
11. M. P. Surh, T. W. Barbee, and C. Mailhiot, Phys. Rev. Lett. 70, 4090 (1993).
12. S. Lee, D. M. Bylander, and L. Kleinman, Phys. Rev. B 45, 3245 (1992).
13. N. Vast, S. Bernard, and G. Zerah, Phys. Rev. B 52, 4123 (1995).
14. M. Methfessel, Phys. Rev. B 38, 1537 (1988).
15. M. Methfessel, C. O. Rodriguez, and O. K. Andersen, Phys. Rev. B 40, 2009 (1989).
16. L. Hedin and B. I. Lundqvist, J. Phys. C 4, 2064 (1971). A generalization allowing spin-polarized calculations is given in V. L. Moruzzi, J. F. Janak, and A. R. Williams, Calculated Electronic Properties of Metals (Pergamon, New York, 1978).
17. J. Ihm, A. Zunger, and M. L. Cohen, J. Phys. C 12, 4409 (1979).
18. 13, 3095(E) (1980).
19. N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991).
20. L. Kleinman and D. M. Bylander, Phys. Rev. Lett. 48, 1425 (1982).
21. D. A. Young, Phase Diagrams of the Elements (University of California Press, Berkeley, 1991).
22. K. A. Gschneidner, Jr., Solid State Phys. 16, 275 (1964).
23. S. Fahy, X. W. Wang, and S. G. Louie, Phys. Rev. Lett. 61, 1631 (1988).
24. Phys. Rev. B 42, 3503 (1990).
25. CRC Handbook of Chemistry and Physics, edited by D. R. Lide, 75th ed. (CRC Press, Boca Raton, 1994).
26. M. L. McKee, J. Am. Chem. Soc. 112, 6753 (1990).
27. These zero-point energies and (Formula presented) values are calculated elsewhere [M. L. McKee, J. Chem. Phys. 94, 435 (1990)] for molecules, except for boron, where we used the measured Debye temperatures and heat capacity, respectively (Ref. 24).
28. T. W. Barbee, A. Garcia, M. L. Cohen, and J. L. Martins, Phys. Rev. Lett. 62, 1150 (1989).