Trends in the elastic response of binary early transition metal nitrides

TL;DR

This paper analyzes the elastic properties of nine binary early transition metal nitrides and AlN, providing detailed elastic constants, moduli, anisotropy factors, and third order elastic constants to aid material selection.

Contribution

It offers comprehensive elastic property data for nine binary nitrides and AlN, including third order elastic constants, filling a gap for material design applications.

Findings

Elastic constants and moduli are systematically calculated.

Elastic anisotropy factors are quantified.

Third order elastic constants are estimated for all materials.

Abstract

Motivated by an increasing demand for coherent data that can be used for selecting materials with properties tailored for specific application requirements, we studied elastic response of nine binary early transition metal nitrides (ScN, TiN, VN, YN, ZrN, NbN, LaN, HfN, and TaN) and AlN. In particular, single crystal elastic constants, Young's modulus in different crystallographic directions, polycrystalline values of shear and Young's moduli, and the elastic anisotropy factor were calculated. Additionally, we provide estimates of the third order elastic constants for the ten binary nitrides.