Абстрактный

A first principle study of Co2MnGe a Heusler compound

D.P.Rai, R.K.Thapa

We performed the structure optimization followed by the calculation of electronic structure and magnetic properties on Co2MnGe. The structure optimization was based on generalized gradient approximation (GGA) exchange correlation and linearized augmented plane wave (LAPW) method. The calculation of electronic structure was based on full potential linear augmented plane wave (FP-LAPW) method. We have studied the electronic structure and magnetic properties. The calculated magnetic moment is 5.004 µB which is an integral value. The calculated density of states (DOS) and band structures shows the half-metallicity of Co2MnGe.