Study of Half-metallic Properties of Co2YGe

ABSTRACT

Based on density functional theory (DFT) calculations, the electronic and magnetic properties of Co₂YGe Heusler compounds (Y = Sc, Ti, V, Cr, Mn and Fe) were investigated. The density of states (DOS) and band structures were studied to understand their electronic properties. Of the investigated systems, Co₂CrGe and Co₂MnGe exhibited 100% spin polarisation at the EF. Co₂CrGe was the most stable half-metallic ferromagnet (HMF) with a 0.24 eV energy gap at the Fermi level in the spin down channel. The total magnetic moment also increased as Y went from Sc to Fe, i.e., with increasing valence electrons. The calculated magnetic moments for Co₂CrGe and Co₂MnGe were 3.999 µB and 5.00 µB, respectively. Based on the calculated results, the HMF character was predicted for Co₂CrGe and Co₂MnGe.