Thermoelasticity of Fe3+‐ and Al‐bearing bridgmanite: Effects of iron spin crossover

Abstract We report ab initio (LDA + Usc) calculations of thermoelastic properties of ferric iron (Fe3+)‐ and aluminum (Al)‐bearing bridgmanite (MgSiO3 perovskite), the main Earth forming phase, at relevant pressure and temperature conditions and compositions. Three coupled substitutions, namely, [Al...

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Bibliographic Details
Main Authors: Gaurav Shukla, Matteo Cococcioni, Renata M. Wentzcovitch
Format: Article
Language:English
Published: Wiley 2016-06-01
Series:Geophysical Research Letters
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Online Access:https://doi.org/10.1002/2016GL069332
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