A DFT study of the equiatomic quaternary Heusler alloys ZnCdXMn (X=Pd, Ni or Pt). (May 2021) - Idrissi, S.
Abstract: In this manuscript, we investigate the structural, electronic and magnetic properties of the quaternary Heusler alloys ZnCdXMn (X = Pd, Ni or Pt) by using the first-principle calculations. In fact, we explore the competing structure on the magnetic and electronic properties of the Zn-based equiatomic quaternary Heusler alloys ZnCdXMn (X = Pd, Ni or Pt) using the Ab-initio method. On the other hand, we have executed this method in order to determine not only the structural properties, but also the magnetic and the electronic properties of these alloys. The motivation of this work is to improve the competition between the austenitic and martensitic phases on the magnetic and electronic properties of the equiatomic quaternary Heusler Alloys ZnCdXMn (X = Pd, Ni or Pt), and their half-metallic behavior for the austenitic structure and 100% SP polarization. These alloys are useful in the spintronic devices uses. Highlights: The Quaternary Heusler ZnCdXMn (X = Pd, Ni and Pt) alloys have studied. The Half-metallic behavior of this alloy has improved for the cubic structure. The Density of states and Band structure have been illustrated by Ab-initio calculations. The Spin Polarizations of these alloys are calculated for the both cubic and tetragonal structures.