Investigation of the physical and superconductivity properties of Ni3AC (A: Mg, Zn and Cd)

Abstract

This study investigates the electronic and superconducting properties of Ni3AC (A: Mg, Zn, and Cd) antiperovskites through first-principles computational methods. Importantly, Ni3MgC has been identified as a superconductor with a transition temperature (Tc) of 8.644 K, while Ni3ZnC and Ni3CdC exhibit Tc values of 2.172 K and 3.861 K, respectively, in remarkable agreement with experimental. The electron–phonon interaction strength in these materials suggests medium-coupling superconductivity. This study provides significant insights into the mechanisms driving superconductivity in metal-carbide antiperovskites, identifying opportunities for their use in advanced technologies. © 2024 The Author