Nitride materials feature strong chemical bonding character that leads to unique crystal
structures, but many ternary nitride chemical spaces remain experimentally unexplored. The …

III-nitrides have revolutionized lighting technology and power electronics. Expanding the
nitride semiconductor family to include heterovalent ternary nitrides opens up new and …

Density-functional theory within a Berry-phase formulation of the dynamical polarization is
used to determine the second-order susceptibility χ (2) of lithium niobate (LiNbO 3). Defect …

Abstract The II-IV-N 2 semiconductors can be conceptually derived from the group-III nitrides
and are useful to complement the nitride semiconductor family. The Cd-IV-N 2 and Be-IV-N 2 …

Figure 1.1: The impact of GNoME in exploration of new materials is illustrated. This figure is
adapted from Ref.[3]. Understanding the fundamental properties of these materials is a …

Wide bandgap semiconductors (WBGS) are an exceptionally important class of materials for
next-generation microelectronics that exhibit a diverse set of physical phenomena spanning …