Table 2 The total number of atoms (N), the relaxation time at 700 K, the average energy band effective mass near the CBM of ZrNiSn, Hf0.5Zr0.5NiSn and Hf0.5Zr0.5NiSn0.98Sb0.02 compounds.
From: Hf/Sb co-doping induced a high thermoelectric performance of ZrNiSn: First-principles calculation
Compound | N | τ | \({\bar{{\boldsymbol{m}}}}_{{\boldsymbol{b}}}^{{\boldsymbol{\ast }}}\) |
|---|---|---|---|
ZrNiSn | 12 | 3.10fs | 1.09m e |
Hf0.25Zr0.75NiSn | 12 | 10.80fs | 1.97m e |
Hf0.5Zr0.5NiSn | 12 | 9.88fs | 1.18m e |
Hf0.5Zr0.5NiSn0.98Sb0.02 | 144 | 14.4fs | 2.31m e |
