The Nonlinear Elasticity of Hexagonal Ti2C Monolayer from First-Principles Calculations

Abstract

In this work, the nonlinear elasticity of hexagonal Ti2C monolayer is studied by first-principles calculations. The second-and third-order elastic constants were calculated using nonlinear elasticity theory. The nonlinear stress-strain relationship depending on higher order elastic constants was also revealed. The intrinsic breaking strength and corresponding breaking strain were deduced as 11.9 N/m at the maximum strain 16.6% for Ti2C monolayer.