DFT based investigation of structural, thermodynamic, mechanical and electronic properties of RuVZ (Z: As, Bi, Sb) half-Heusler semiconductors

Half-Heusler (hH) alloys are an intriguing class of materials with significant potential for applications in spintronics, thermoelectrics, optoelectronics, and magnetoelectronics due to their unique adjustable properties. In this work, we have investigated the structural, thermodynamic, mechanical, and electronic properties of RuVZ (Z: As, Bi, Sb) half-Heusler materials using the density functional theory (DFT) as implemented in the quantum espresso computational suite.