Physical and Structural Properties of Semi-Heusler alloys( NiMnSb) Using Quantum ESPRESSO

Abstract

In this study, the physical (electronic and magnetic) properties of semi Heusler alloys (NiMnSb) have been studied using the Quantum espresso program.The relaxation process and the calculations of energy cut-off test, magnetization and calculations k-point optimization were obtained from the k- path of the Brillion zone of curves. concentration was also on the verification of structural properties, the electronic band structure of the alloy NiMnSb .it was classified as ferromagnetic and the compared of two types of pseudo-potential and found the best result of the type is Generalized Gradient Approximations (GGA).