Pressure effects on structure, mechanical properties and thermal conductivity of V₂SnC: a first-principles study

Recently, a new layered-ternary compound V2SnC was successfully synthesised by reacting V, Sn, and C powder mixture at 1000°C. Its space group was identified as P63/mmc. In this work, the structural, mechanical properties, and thermal conductivity of this new layered-ternary compound have been studied under pressure up to 100 GPa by density functional theory. The calculated lattice parameters and cell volume of V2SnC at the ground state are in...