First-principles Study on Crystal Structures and Elasticity of Pure Iron and Iron-light Element Alloys at the Earth's Inner Core

Abstract

  Solving enigmas of the Earth's inner core is a grand challenge in mineral physics, and first-principles studies play a significant role for our understanding. Iron is expected to be a major component of the inner core, and first-principles calculations have shed new light on the stable crystal structure and elasticity of iron at the inner core conditions. In this article, reviewing recent first-principles studies, we discuss the stable crystal structure and the elasticity of pure iron at the inner conditions, the effect of light element on them, and an outlook for the future direction.