Electronic structure of Yttrium Nitride

Abstract

The transition nitride compounds have been promising for their remarkable applications. The
transition nitride compounds belong to the category of metals and semiconductors. Yttrium nitride
crystallizes in simple rock-salt structure and there has been ambiguity in finding its actual
characteristic, whether it is semiconducting or metallic. We have performed a local density
approximation (LDA) and generalized gradient approximation (GGA) using full-potential linear
augmented plane wave method to reveal its exact electronic structure.