Dynamical and elastic properties of MgSiO3 perovskite (bridgmanite)

We report on the lattice dynamics of MgSiO3 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 a...

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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:
Analytical methods
bridgmanite
Chemical composition
Crystals
Density
Density of states
Dispersion
Dynamics
Earth
Earth mantle
Elastic properties
Elasticity
High temperature
Inelastic scattering
lattice dynamics
Lower mantle
Mantle
Mathematical analysis
MgSiO3
perovskite
phonons
Physical properties
Pressure
Properties
Single crystals
Spectroscopy
Spectrum analysis
Temperature
Temperature effects
X-ray scattering
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container_end_page 2575
container_issue 6
container_start_page 2568
container_title Geophysical research letters
container_volume 43
creator 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
description We report on the lattice dynamics of MgSiO3 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. Key Points Lattice dynamics of MgSiO3‐bridgmanite Phonon spectroscopy by inelastic X‐ray scattering Lattice dynamics by density functional perturbation theory
doi_str_mv 10.1002/2016GL067970
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source Wiley-Blackwell AGU Digital Library
subjects Analytical methods
bridgmanite
Chemical composition
Crystals
Density
Density of states
Dispersion
Dynamics
Earth
Earth mantle
Elastic properties
Elasticity
High temperature
Inelastic scattering
lattice dynamics
Lower mantle
Mantle
Mathematical analysis
MgSiO3
perovskite
phonons
Physical properties
Pressure
Properties
Single crystals
Spectroscopy
Spectrum analysis
Temperature
Temperature effects
X-ray scattering
title Dynamical and elastic properties of MgSiO3 perovskite (bridgmanite)
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