NaMgF3: A low-pressure analog of MgSiO3

Geophysical Research Letters

Volumn 33, Issue 15, 2006, Pages

  Umemoto, K ^a   Wentzcovitch, R M ^a   Weidner, D J ^b   Parise, J B ^b  

^a University of Minnesota   (United States)

^b STONY BROOK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION; FREE ENERGY; MAGNESIUM COMPOUNDS; PEROVSKITE; PHASE TRANSITIONS;

DISSOCIATION PRODUCTS; LOW-PRESSURE ANALOG; PHASE BOUNDARIES; TRANSITION PRESSURES;

SODIUM COMPOUNDS;

DIAMOND; HARMONIC ANALYSIS; PEROVSKITE; PHASE TRANSITION;

EID: 33845661413     PISSN: 00948276     EISSN: None     Source Type: Journal    
DOI: 10.1029/2006GL026348     Document Type: Article

References (25)

1. Baroni, S., S. de Gironcoli, A. Dal Corso, and P. Giannozzi (2001), Phonons and related crystal properties from density-functional perturbation theory, Rev. Mod. Phys., 73, 515.
2. Cortona, P. (1992), Direct determination of self-consistent total energies and charge densities of solids: A study of the cohesive properties of the alkali halides, Phys. Rev. B, 46, 2008.
3. Giannozzi, P., S. de Gironcoli, P. Pavone, and S. Baroni (1991), Ab initio calculation of phonon dispersions in semiconductors, Phys. Rev. B, 43, 7231.
4. Haines, J., J. M. Leger, F. Gorelli, D. D. Klug, J. S. Tse, and Z. Q. Li (2001), X-ray diffraction and theoretical studies of the high-pressure structures and phase transitions in magnesium fluoride, Phys. Rev. B, 64, 134130.
5. Hyde, B. G., and S. Andersson (1989), Inorganic Crystal Structures, John Wiley, Hoboken, N. J.
6. Karki, B. B., R. M. Wentzcovitch, S. de Gironcoli, and S. Baroni (1999), First-principles determination of elastic anisotropy and wave velocities of MgO at lower mantle conditions, Science, 286, 1705.
7. 3 perovskite under pressure, Geophys. Res. Lett., 32, L04304, doi:10.1029/2004GL022068.
8. 3, Science, 304, 855.
9. 3 in Earth's D layer, Nature, 430, 445.
10. 3, Eos Trans. AGU, 85(47), Fall Meet. Suppl., Abstract MR23A-0188.
11. Perdew, J. P., and A. Zunger (1981), Self-interaction correction to density-functional approximations for many-electron systems, Phys. Rev. B, 23, 5048.
12. Perdew, J. P., K. Burke, and M. Ernzerhof (1996), Generalized gradient approximation made simple, Phys. Rev. Lett., 77, 3865.
13. Smith, R. W., W. N. Mei, J. W. Flocken, M. J. Dubik, and J. R. Hardy (2000), Polymorphic phase transitions in mixed alkali magnesium fluoride solid solutions, Mater. Res. Bull., 35, 341.
14. 3 perovskite in the Earth's lower mantle, Earth Planet. Sci. Lett., 224, 241.
15. 3 in the cores of gas giants and terrestrial exoplanets, Science, 311, 983.
16. Vanderbilt, D. (1990), Soft self-consistent pseudopotentials in a generalized eigenvalue formalism, Phys. Rev. B, 41, R7892.
17. Wallace, D. (1972), Thermodynamics of Crystals, John Wiley, Hoboken, N. J.
18. Wentzcovitch, R. M. (1991), Invariant molecular-dynamics approach to structural phase transitions, Phys. Rev. B, 44, 2358.
19. 3, Phys. Rev. Lett., 70, 3947.
20. Wyckoff, R. W. G. (1965), Crystal Structures, vol. 2, Wiley-Interscience, Hoboken, N. J.
21. Yagi, T., T. Suzuki, and S. Akimoto (1983), New high-pressure polymorphs ion sodium halides, J. Phys. Chem. Solids, 44, 135.
22. 3 perovskite. Part I, Phys. Earth Planet. Inter., 76, 1.
23. 3 perovskite. Part II, Phys. Earth Planet. Inter., 76, 17.
24. 3 perovskite, J. Geophys. Res., 99, 2871.
25. 3, Geophys. Res. Lett., 24, 747.