Structural, elastic and electronic properties of new antiperovskite-like ternary nitrides AlNNi3, GaNNi3 and InNNi3 as predicted from first principles

Structural, elastic and electronic properties of the new ternary nitrides AlNNi3, GaNNi3 and InNNi3 with cubic antiperovskite-like structure have been predicted using the full-potential linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA) for the exchange–correlation potential.