Study of Half-metallic Properties of Co2YGe (Y = Sc, Ti, V, Cr, Mn, Fe): A Density Functional Theory.

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. [ABSTRACT FROM AUTHOR]