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

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

2006-03-08

arxiv.org/abs/cond-mat/0603222v1

Physics

Condensed Matter

Materials Science

16 pages, submitted to Geophysical Research Letters

Scientific paper

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.

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