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

24th Condensed Matter Days National Conference

Joshi, Himanshu^1 ; Rai, D.P.^2 ; Sandeep^1 ; Thapa, R.K.^1

Condensed Matter Theory Research Group, Mizoram University, Aizawl, Mizoram

796004, India^1

Pachhunga University College, Aizawl, Mizoram

796001, India^2

关键词: Density of state;    First-principle density-functional theories;    First-principle study;    Half-metallicity;    Heusler alloys;    Heusler compound;    Thermoelectric properties;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/765/1/012010/pdf
DOI  :  10.1088/1742-6596/765/1/012010

来源: IOP

【 摘 要 】

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.