Solid solution effect of Fe²⁺ and Fe³⁺ on the thermoelastic property of MgSiO₃ bridgmanite calculated based on the internally consistent LSDA+U method

Abstract

We calculated the thermoelastic property of lower-mantle compositions by first principles calculations.
 The results shows that a pyrolitic composition can reproduce the reference velocities and densities. In this presentation, I am going to report that solid solution effect of Fe²⁺ and Fe³⁺ on the thermoelastic property of MgSiO3 bridgmanite of the calculations. The result of solid solution effect of Chantel et al (2012) plotted between our result of Fe²⁺ and Fe³⁺. Chantel et al (2012) used a sample including Fe²⁺ and Fe³⁺. Therefore, this study confirms Chantel et al (2012)