Walter R. L. Lambrecht

First-principles study of infrared, Raman, piezoelectric, and elastic properties of Mg–IV–N2 (IV = Si, Ge, Sn)

Mg–IV–N2 compounds with IV = Si, Ge, and Sn are ultra-wide bandgap semiconductors with various potential electronic and optoelectronic applications. They share the Pna21 space group crystal structure. Here, we present density functional perturbation theory calculations of the vib...