Pressure-induced physical properties in topological semi-metal TaM (M = As, Sb).

In this study, DFT based first principles calculations are used for measuring the structural, elastic, mechanical, electronic, optical and thermodynamic features of topological semimetal TaM (M = As, Sb) under various pressures. We conducted the first investigation into the physical properties of the topological semimetal TaM (M = As, Sb) under pressure. Formation energy and Born stability criteria justify the compound's thermodynamic and mechanical stability.