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Publication Detail
Electronic spin transitions in ferrous iron-bearing MgSiO2 post-perovskite.
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.
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