Electronic structure, equilibrium and magnetic properties of Ni2MnGe: Ab initio study

The electronic structure and magnetic properties of Ni2MnGe in the cubic L21 structure are studied using the full-potential non-orthogonal local-orbital minimum basis method (FPLO). The total energy calculations clearly favour the ferromagnetic ground state. The theoretical lattice parameter obtained from the dependence of the total energy on the lattice parameter is in agreement with experimental one. The considerable influence of Mn and Ni 3d electronic states on the formation of the majority and the minority bands of Ni2MnGe are discussed. The pressure–volume relation is reported. The study of the pressure effect on the electronic structure and the magnetic moment predicted the linear decrease of the total magnetic moment from the ambient pressure to the 19.7 GPa.