Etude par la théorie DFT des propriétés structurales, électroniques et magnétiques du MnAs comme matériau magnétocalorique

Abstract

This work aims to study the electronic, structural and magnetic properties of MnAs as magnetocaloric material, using the Fullpotential linearized augmented plane waves (FP‐LAPW) based on DFT . In order to describe the exchange‐correlation energy we used the GGA approximations. The mBJ potential is used in order to improve the results obtained.