Theoretical determination of the Raman spectra of MgSiO3 perovskite and post‐perovskite at high pressure
- 24 May 2006
- journal article
- Published by American Geophysical Union (AGU) in Geophysical Research Letters
- Vol. 33 (12)
- https://doi.org/10.1029/2006gl025736
Abstract
We use the density functional perturbation theory to determine for the first time the pressure evolution of the Raman intensities for a mineral, the two high‐pressure structures of MgSiO3 perovskite and post‐perovskite. At high pressures, the Raman powder spectra reveals three main peaks for the perovskite structure and one main peak for the post‐perovskite structure. Due to the large differences in the spectra of the two phases Raman spectroscopy can be used as a good experimental indication of the phase transition.Keywords
All Related Versions
This publication has 36 references indexed in Scilit:
- Raman Spectroscopy of High Pressure MgSiO3Phases Synthesized in a CO2Laser Heated Diamond Anvil Cell: Perovskite and ClinopyroxeneGeophysical Monograph Series, 2013
- Effect of chemistry on the stability and elasticity of the perovskite and post‐perovskite phases in the MgSiO3‐FeSiO3‐Al2O3 system and implications for the lowermost mantleGeophysical Research Letters, 2005
- Normal-mode analysis of the structures of perovskites with tilted octahedraActa Crystallographica Section A Foundations of Crystallography, 2001
- Phonons and related crystal properties from density-functional perturbation theoryReviews of Modern Physics, 2001
- Thermal expansivity of lower mantle phases MgO and MgSiO3 perovskite at high pressure derived from vibrational spectroscopyPhysics of the Earth and Planetary Interiors, 1996
- Wannier and Bloch orbital computation of the nonlinear susceptibilityPhysical Review B, 1994
- Ab initiocalculation of phonon dispersions in semiconductorsPhysical Review B, 1991
- Green’s-function approach to linear response in solidsPhysical Review Letters, 1987
- Ab initiocalculation of the low-frequency Raman cross section in siliconPhysical Review B, 1986
- Light Scattering in Solids IIPublished by Springer Nature ,1982