First-principles calculation of the equation-of-state, stability, and polar optic modes of CaSiO3 perovskite

Geophysical Research Letters

Volumn 23, Issue 20, 1996, Pages 2725-2728

  Chizmeshya, Andrew V G ^a   Wolf, George H ^a   McMillan, Paul F ^a  

^a ARIZONA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CALCULATIONS; COMPACTION; CRYSTAL LATTICES; EQUATIONS OF STATE OF SOLIDS; HYDROSTATIC PRESSURE; MOLECULAR DYNAMICS; PEROVSKITE; PHASE TRANSITIONS; STABILITY; VIBRATIONS (MECHANICAL); CRYSTALLINE MATERIALS; DATA COMPRESSION; HYDRAULICS;

BIRCH-MURNAGHAM FIT; CALCIUM SILICATES; DYNAMIC STABILITY; FERROIC MODE; INFRARED ACTIVE TRANSVERSE OPTIC VIBRATIONAL MODE FREQUENCIES; POLAR OPTIC MODES;

SILICATE MINERALS; EQUATIONS OF STATE;

EQUATION OF STATE; PEROVSKITE; POLAR OPTIC MODEL; STABILITY;

AMORPHOUS TRANSITION; DYNAMICAL CALCULATIONS; DYNAMICAL INSTABILITIES; EMPIRICAL POTENTIALS; FIRST-PRINCIPLES CALCULATION; HYDROSTATIC COMPRESSION; OCTAHEDRAL ROTATIONS; QUANTITATIVE AGREEMENT;

EID: 0030265188     PISSN: 00948276     EISSN: None     Source Type: Journal    
DOI: 10.1029/96GL02624     Document Type: Article

References (8)

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8. 3 perovskites: Implications for lower mantle composition, in High-Pressure Research in Mineral Physics, Geophys. Monogr. Ser. vol. 39, edited by M.H. Manghnani and Y. Syono, pp. 313-331, AGU, Washington, D.C., 1987.