(a) The conventional cell of ZrNiSn and (b) the primitive cell of Zr0.5Hf0.5NiSn.
The band structures for (a) ZrNiSn, (b) HfNiSn, and (c) Zr0.5Hf0.5NiSn. The Fermi level is set to be zero.
Calculated (a) thermopower S and (b) electrical conductivity σ for doped ZrNiSn, HfNiSn, and Zr0.5Hf0.5NiSn compounds as a function of temperature. The corresponding experimental results 5,9,10 are displayed together for comparison.
(a) Temperature dependence of thermal conductivity κ of doped ZrNiSn, HfNiSn and Zr0.5Hf0.5NiSn compounds fitted by κ = A/T + BT + C, where A, B and C are fitted values and T is the absolute temperature. The solid squares are the experimental data. 5,9,10 (b) The corresponding calculated figure of merit ZT.
Chemical potential dependence of (a) thermopower S and (b) power factor over relaxation time S 2 σ/τ of Zr0.5Hf0.5NiSn at 300 K, 500 K, and 700 K.
Temperature dependence of transport properties of Zr0.5Hf0.5NiSn at the optimal doping carrier concentrations. (a) p-type thermopower S. (b) n-type thermopower S. (c) p-type power factors with respect to relaxation time S 2 σ/τ. (d) n-type power factors with respect to relaxation time S 2 σ/τ.
Lattice constants and band gaps of ZrNiSn, HfNiSn, and Zr0.5Hf0.5NiSn.
Peak values of power factors with respect to relaxation time S 2 σ/τ and their corresponding thermopower S at 300 K, 500 K, and 700 K as a function of chemical potential μ around the Fermi level. The optimal doping carrier concentrations n corresponding to chemical potential μ are also listed.
Article metrics loading...
Full text loading...