Quantum simulations of defects near the (0001) surface of $\hat{I}\pm$-Al${}_2$O${}_3$

Vijaya Begum-Hudde, Yi-Ting Lee, Barbara A. Jones +1

Defects in materials are ubiquitous and one of their adverse effects in $\hat{I}\pm$-Al${}_2$O${}_3$ is the initiation of corrosion. While this process starts near the surface, the defects inv…