Dynamical and elastic properties of MgSiO 3 perovskite (bridgmanite)

We report on the lattice dynamics of MgSiO 3 perovskite (bridgmanite). Phonon spectroscopy was performed employing inelastic X‐ray scattering from single crystals, and the results were confronted to ab initio calculations. We observe a remarkable agreement between experiment and theory, and provide...

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Bibliographic Details
Published in:Geophysical research letters 2016-03, Vol.43 (6), p.2568-2575
Main Authors: Wehinger, Björn, Bosak, Alexeï, Nazzareni, Sabrina, Antonangeli, Daniele, Mirone, Alessandro, Chaplot, Samrath Lal, Mittal, Ranjan, Ohtani, Eiji, Shatskiy, Anton, Saxena, Surendra, Ghose, Subrata, Krisch, Michael
Format: Article
Language:English
Subjects:
Earth Sciences
Geophysics
Sciences of the Universe
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Summary:We report on the lattice dynamics of MgSiO 3 perovskite (bridgmanite). Phonon spectroscopy was performed employing inelastic X‐ray scattering from single crystals, and the results were confronted to ab initio calculations. We observe a remarkable agreement between experiment and theory, and provide accurate results for phonon dispersion relations, the vibrational density of states, and the full elasticity tensor. The present work constitutes an important milestone fully validating the lattice dynamics calculation against precise experimental evidence and marks a starting point to extend this kind of combined studies to the high‐pressure and high‐temperature conditions directly relevant for the physical properties and chemical composition of Earth's lower mantle. Lattice dynamics of MgSiO 3 ‐bridgmanite Phonon spectroscopy by inelastic X‐ray scattering Lattice dynamics by density functional perturbation theory
ISSN:0094-8276
1944-8007
DOI:10.1002/2016GL067970