Theoretical determination of the Raman spectra of MgSiO3 perovskite and post-perovskite at high pressure

Preprint

8 March 2006

preprint
Published by arXiv in arXiv

https://doi.org/10.48550/arXiv.cond-mat/0603222

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

THEORETICAL DETERMINATION
PERTURBATION THEORY
RAMAN SPECTROSCOPY
MGSIO3 PEROVSKITE
PHASE TRANSITION
POST PEROVSKITE
HIGH PRESSURE
RAMAN SPECTRA

All Related Versions

Version 1, 2006-03-08, ArXiv
Published version: Geophysical Research Letters, 33 (12).

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