Elastic Behavior of <i>&gamma;</i>-Li₃N under Pressure

Abstract

The elastic properties of γ-Li 3 N have been studied for the first time by first-principles method. Three independent elastic constants, aggregate elastic moduli (B, G, E), Poisson's ratio (υ) and Debye temperature Θ D are calculated as a function of pressure from 37.12 (β→γ transition value) to 200 GPa and the implications of the results are discussed.