First‐principles calculation of the equation‐of‐state, stability, and polar optic modes of CaSiO3 perovskite
- 1 October 1996
- journal article
- Published by American Geophysical Union (AGU) in Geophysical Research Letters
- Vol. 23 (20) , 2725-2728
- https://doi.org/10.1029/96gl02624
Abstract
No abstract availableThis publication has 17 references indexed in Scilit:
- The high-pressure phase transitions of silicon and gallium nitride: a comparative study of Hartree - Fock and density functional calculationsJournal of Physics: Condensed Matter, 1996
- Thermal equation of state of CaSiO3 perovskiteJournal of Geophysical Research, 1996
- Crystalline-amorphous transition in silicate perovskitesPhysical Review B, 1995
- Variational charge relaxation in ionic crystals: An efficient treatment of statics and dynamicsPhysical Review B, 1994
- Absence of an aluminous phase in the upper part of the Earth's lower mantleNature, 1994
- Characterization of quenched high pressure phases in CaSiO3 system by XRD and 29Si NMRGeophysical Research Letters, 1991
- Lattice dynamics and origin of ferroelectricity in: Linearized-augmented-plane-wave total-energy calculationsPhysical Review B, 1990
- High-pressure and high-temperature phase relations in CaSiO3 and CaMgSi2O6 and elasticity of perovskite-type CaSiO3Physics of the Earth and Planetary Interiors, 1989
- The classification of tilted octahedra in perovskitesActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1972
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965