A high-pressure phase transition in iron free MgSiO3 perovskite, the most abundant Earth forming mineral phase, was discovered and reported in 2003-2004. Here, we summarize our theoretical and computational studies on this phase transition and on the physical properties of the newly found post-perovskite phase. The theoretical approach is based on density functional theory and on the plane-wave pseudopotential method. We focus here on the structural, elastic, vibrational, and thermodynamic properties of the post-perovskite phase. The predicted Clapeyron slope of this transition and several elastic properties of the highpressure phase strongly suggest that this new phase is an important candidate for a primary constituent in D″. © 2007 Springer.
CITATION STYLE
Tsuchiya, T., Tsuchiya, J., & Wentzcovitch, R. M. (2007). Post-perovskite MgSiO3 investigated by first principles. In Superplumes: Beyond Plate Tectonics (pp. 83–103). Springer Netherlands. https://doi.org/10.1007/978-1-4020-5750-2_4
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