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research article

Thermoelasticity of Fe2+-bearing bridgmanite

Shukla, Gaurav
•
Wu, Zhongqing
•
Hsu, Han
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2015
Geophysical Research Letters

We present local density approximation augmented by the Hubbard-type correction calculations of high-temperature elastic properties of bridgmanite with composition (Mg(1-x)Fex2+)SiO3 for 0 <= x <= 0.125. Results of elastic moduli and acoustic velocities for the Mg end-member (x=0) agree very well with the latest high-pressure and high-temperature experimental measurements. In the iron-bearing system, we focus particularly on the change in thermoelastic parameters across the state change that occurs in ferrous iron above similar to 30GPa, often attributed to a high-spin (HS) to intermediate-spin (IS) crossover but explained by first-principles calculations as a lateral displacement of substitutional iron in the perovskite cage. We show that the measured effect of this change on the equation of state of this system can be explained by the lateral displacement of substitutional iron and not by the HS to IS crossover. The calculated elastic properties of (Mg0.875Fe0.1252+)SiO3 along an adiabatic mantle geotherm somewhat overestimate longitudinal velocities but produce densities and shear velocities quite consistent with the Preliminary Reference Earth Model data throughout most of the lower mantle.

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Type
research article
DOI
10.1002/2014Gl062888
Web of Science ID

WOS:000353170000017

Author(s)
Shukla, Gaurav
Wu, Zhongqing
Hsu, Han
Floris, Andrea
Cococcioni, Matteo  
Wentzcovitch, Renata M.
Date Issued

2015

Publisher

Amer Geophysical Union

Published in
Geophysical Research Letters
Volume

42

Issue

6

Start page

1741

End page

1749

Subjects

iron-bearing bridgmanite

•

thermoelasticity

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
THEOS  
Available on Infoscience
May 29, 2015
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/114397
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