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Electronic spin transitions and the seismic properties of ferrous iron‐bearing MgSiO 3 post‐perovskite

2006; American Geophysical Union; Volume: 33; Issue: 12 Linguagem: Inglês

10.1029/2005gl025589

1944-8007

Stephen Stackhouse, John P. Brodholt, D. P. Dobson, G. D. Price,

Solid-state spectroscopy and crystallography

The elastic constants of post‐perovskite of chemical composition Mg 0.9375 Fe 0.0625 SiO 3 and Mg 0.8750 Fe 0.1250 SiO 3 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.