Investigation of electronic structure of heusler alloys: cubic and tetragonal cells

Abstract

The work is devoted to the Heusler alloys as a candidate for applications in spintronics. On the basis of experimental studies the electronic structure of these alloys by computer simulations were carried out. Hence, the purpose of our work is to simulate and to explain the variety of structural properties of the Ni2MnGa and Co2MnGa compounds by using state-of-the-art computational ab-initio methods. The total energy calculations for the cubic and the tetragonal structures, band structure and its nature and magnetizability have the compounds are investigated. The obtained results will explain the dependence of the magnetic properties of the alloys on the geometrical structure as well influence of Co and Ni on these properties.