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First-principles lattice dynamics and thermoelasticity of MgSiO 3 ilmenite at high pressure

✍ Scribed by Karki, Bijaya B.

Book ID
119655598
Publisher
American Geophysical Union
Year
2002
Tongue
English
Weight
321 KB
Volume
107
Category
Article
ISSN
0148-0227

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A first-principles pseudopotential method is used to investigate the structural and elastic properties of ScAs and ScSb in their ambient B1(NaCl) and in high pressure B2 (CsCl) phases and phonon structures at zero and close to phase transition pressure. The calculated lattice constants, static bulk