First-Principles Study of Phase Transitions of Minerals in Super-Earths

Abstract

In this article, we review a series of first-principles studies of phase transitions in earth/planet-forming materials under ultrahigh pressure which corresponds to deep interiors of super-Earths and is difficult to be achieved by diamond-anvil-cell experiments. As examples, we discuss dissociations of MgSiO₃ post-perovskite and novel crystalline phases of SiO₂ and Al₂O₃ under ultrahigh pressures. The methods shown in this article are general and can be applied to any structural phase transitions.