The (001) surface of alpha-Ga is covered with GaIII

TL;DR

This paper predicts that the (001) surface of alpha-Ga is covered with two layers of GaIII, explaining recent STM observations and surface stability through ab initio calculations.

Contribution

It introduces a novel prediction that the alpha-Ga (001) surface is covered with GaIII layers, supported by ab initio calculations and explaining experimental observations.

Findings

Surface covered with GaIII layers in the model

Explains anomalous thermal stability of the surface

Supports predictions with ab initio calculations

Abstract

We propose, based on ab initio calculations, that the ground state (001) surface of $\alpha$-Ga should be covered by two layers of GaIII, a denser phase which is stable in the bulk only at high pressure and temperature. We discuss how this novel prediction can explain recent STM observations, including anomalous thermal stability of this surface.