Dynamical and elastic properties of MgSiO3 perovskite (bridgmanite)

Björn Wehinger; Alexeï Bosak; Sabrina Nazzareni; Daniele Antonangeli; Alessandro Mirone; Samrath Lal Chaplot; Ranjan Mittal; Eiji Ohtani; Anton Shatskiy; Surendra Saxena; Subrata Ghose; Michael Krisch

doi:10.1002/2016GL067970

Dynamical and elastic properties of MgSiO₃ perovskite (bridgmanite)

Björn Wehinger, Alexeï Bosak, Sabrina Nazzareni, Daniele Antonangeli, Alessandro Mirone, Samrath Lal Chaplot, Ranjan Mittal, Eiji Ohtani, Anton Shatskiy, Surendra Saxena, Subrata Ghose, Michael Krisch

SCI - Earth Science

Research output: Contribution to journal › Article › peer-review

12 Citations (Scopus)

Abstract

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.

Original language	English
Pages (from-to)	2568-2575
Number of pages	8
Journal	Geophysical Research Letters
Volume	43
Issue number	6
DOIs	https://doi.org/10.1002/2016GL067970
Publication status	Published - 2016 Mar 28

Keywords

MgSiO
bridgmanite
elasticity
lattice dynamics
perovskite
phonons

ASJC Scopus subject areas

Geophysics
Earth and Planetary Sciences(all)

Access to Document

10.1002/2016GL067970

Cite this

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title = "Dynamical and elastic properties of MgSiO3 perovskite (bridgmanite)",

abstract = "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.",

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T1 - Dynamical and elastic properties of MgSiO3 perovskite (bridgmanite)

AU - Wehinger, Björn

AU - Bosak, Alexeï

AU - Nazzareni, Sabrina

AU - Antonangeli, Daniele

AU - Mirone, Alessandro

AU - Chaplot, Samrath Lal

AU - Mittal, Ranjan

AU - Ohtani, Eiji

AU - Shatskiy, Anton

AU - Saxena, Surendra

AU - Ghose, Subrata

AU - Krisch, Michael

PY - 2016/3/28

Y1 - 2016/3/28

N2 - 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.

AB - 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.

KW - MgSiO

KW - bridgmanite

KW - elasticity

KW - lattice dynamics

KW - perovskite

KW - phonons

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