Electronic structure and thermoelectric property of Co₂YGe (Y=Mn, Fe) Heusler compounds: a first principle study

The electronic and thermoelectric properties of Co₂YGe (Y=Mn, Fe) Heusler compounds have been studied by first principle density functional theory and compared with the known experimental and theoretical results. Results of the density of states (DOS) and band structures shows the half-metallicity of the Heusler alloy Co₂MnGe, whereas the Heusler alloy Co₂FeGe fails to give half-metallicity when treated with GGA. The ZT value calculated for these materials is much below the benchmark value 1. (paper)