地球型系外惑星内部における物質構造相転移の第一原理計算による研究

抄録

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.