Metallic Aluminum Suboxides with Ultrahigh Electrical Conductivity at High Pressure.

ABSTRACT: Aluminum, as the most abundant metallic elemental content in the Earth's crust, usually exists in the form of alumina (Al₂O₃). However, the oxidation state of aluminum and the crystal structures of aluminum oxides in the pressure range of planetary interiors are not well established. Here, we predicted two aluminum suboxides (Al₂O, AlO) and two superoxides (Al₄O₇, AlO₃) with uncommon stoichiometries at high pressures using first-principle calculations and crystal structure prediction methods. We find that the P4/nmm Al₂O becomes stable above ~765 GPa and may survive in the deep mantles or cores of giant planets such as Neptune. Interestingly, the Al₂O and AlO are metallic and have electride featu

SUBMITTER: Huang T 

PROVIDER: S-EPMC9448442 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature