The thermoelectric properties of predicted semiconducting Ti2CrGe and Ti2CrSn: A first principles study

At room temperature (300 K), the maximum value of power factor 51.38 (1014 μW cm−1 K−2 S−2) and 47.53 (1014 μW cm−1 K−2 S−2) within the hole doping range of 1027 ∼ 1028 m−3 are obtained for Ti2CrGe and Ti2CrSn, respectively. Therefore, the two compounds belong to potential candidates for thermoelectric application because their power factor is close to that of the well known thermoelectric material Bi2Te3 which has been commercially for thermoelectric device.193