Ferrous iron in post-perovskite from first-principles calculations

Details Ferrous iron in post-perovskite from first-principles calculations Ferrous iron in post-perovskite from first-principles calculations

Jul 2008

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2008pepi..168..147c&link_type=abstract

Physics of the Earth and Planetary Interiors, Volume 168, Issue 3-4, p. 147-152.

Physics

11

Scientific paper

We investigate by first-principles calculations the effect of ferrous iron, Fe2+, on the structure and the equation of state of MgSiO3 post-perovskite. We find that ferrous iron is high-spin over the pressure range of the mantle assuming a ferromagnetic structure. The bulk modulus and the specific volume increase with the addition of ferrous iron to MgSiO3. We find that Fe partitions preferentially to post-perovskite and broadens the two-phase pressure range.

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