Oxygen-driven enhancement of electron correlation in hexagonal iron at Earth's inner core conditions

Abstract

Earth's inner core consists of mainly iron with a bit of light elements. Understanding of its structure and related physical properties has been elusive for both experiment and theory due to its required extremely high pressure and temperature conditions. Here, using density functional theory plus dynamical mean field theory, we demonstrate that oxygen atoms energetically stabilize hexagonal structured iron at the inner core condition. Electrical resistivity is much enhanced compared with pure hcp-Fe, supporting the conventional thermal convection model. Moreover, our calculated seismic velocity shows a quantitative match with geologically observed Preliminary Reference Earth Model data.

arXiv comment12 pages, 4 figures

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Cited by in corpus (1)

• Influence of oxygen on electronic correlation and transport in iron in the outer Earth's core