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Electronic spin transitions and the seismic properties of ferrous iron-bearing MgSiO3 post-perovskite

Stackhouse, S; Brodholt, JP; Dobson, DP; Price, GD; (2006) Electronic spin transitions and the seismic properties of ferrous iron-bearing MgSiO3 post-perovskite. Geophysical Research Letters , 33 (12) , Article L12S03. 10.1029/2005GL025589. Green open access

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Abstract

The elastic constants of post-perovskite of chemical composition Mg0.9375Fe0.0625SiO3 and Mg0.8750Fe0.1250SiO3 have been calculated at 0 K and 136 GPa using ab initio methods. For both compositions studied, iron remains in a high-spin state below 180 GPa at 0 K. The effect of spin state on elastic properties is small. Logarithmic derivations of isotropic wave velocities and density with respect to ferrous iron content are similar to those predicted from pure end-members. Citation: Stackhouse, S., J. P. Brodholt, D. P. Dobson, and G. D. Price ( 2006), Electronic spin transitions and the seismic properties of ferrous iron-bearing MgSiO3 post-perovskite.

Type: Article
Title: Electronic spin transitions and the seismic properties of ferrous iron-bearing MgSiO3 post-perovskite
Open access status: An open access version is available from UCL Discovery
DOI: 10.1029/2005GL025589
Publisher version: http://dx.doi.org/10.1029/2005GL025589
Language: English
Additional information: Copyright 2006 by the American Geophysical Union
Keywords: Augmented-wave method, Core-mantle boundary, Earth's lower mantle, Phase-transition, High-pressure, Ferric iron, State, Layer
UCL classification: UCL
UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Earth Sciences
UCL > Provost and Vice Provost Offices > VP: Research
URI: https://discovery.ucl.ac.uk/id/eprint/140482
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