Electronic Structure and Band-Edge Character of Ga-Substituted $\alpha$-Al${}_2$O${}_3$: A First-Principles Study

Z. S. Machavariani, R. Ya. Kezerashvili, T. Tchelidze

We present a first-principles density functional theory study of substitutional Ga incorporation in an $\alpha$-Al${}_2$O${}_3$-derived host, isolating chemical embedding effects without ex…