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.
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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 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 |
| URI: | https://discovery.ucl.ac.uk/id/eprint/140482 |
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