Defect structures of the Cr2O3(110) surface: effect of electron beam irradiation

Abstract

We have revealed the atomic structures and stability of the (110) surface of single crystal Cr₂O₃ combining aberration corrected transmission electron microscopy and first-principles calculations. It is found that the Cr₂O₃(110) surface has two types of terminations with different oxygen vacancy concentrations under O-poor conditions. Based on a semi-quantitative model, we incorporate the electron beam irradiation into the surface energy calculations and succeed in explaining the stabilization mechanism of the observed surface structures. Our analysis makes surface configurations revealed by using electron microscopy more interpretable and paves the way to understanding atomic mechanisms of oxide surfaces by TEM.