The Electronic Structure and Magnetic Properties of Full- and Half-Heusler Alloys

Abstract

The electronic structure of the full- and half-Heusler alloys have been studied by ab-initio calculations using full potential augmented plane-wave-method (FLAPW). It was shown that obtained equilibrium lattice parameters and magnetic moments agree well with available experimental data. The influence of vacancies on the electronic structure and magnetic properties of Ni2−xMnGa and Co2−xZrSn is analyzed.