Etude du premier principe d’alliage Heusler Cu2MnN

Abstract

In this work, we presented a theoretical study on the structural, electronic and magnetic properties of the alloy Cu2MnN. The purpose of the work is the investigation of physical parameters such as equilibrium network pitch, compressibility modulus, state density, electronic band structure and magnetic moment. The calculation method used is FP-LAPW which is incorporated into the WIEN2K code in the general framework of density functional theory (DFT), using the generalized gradient density (GGA) approximation. Our compound is metallic ferromagnetic