Strain field fluctuation effects on lattice thermal conductivity of ZrNiSn-based thermoelectric compounds
Strain field fluctuation effects on lattice thermal conductivity of ZrNiSn-based thermoelectric compounds
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DOI：
10.1063/1.1783022
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发表时间：
2004-08
影响因子：
4
通讯作者：
Jihui Yang;G. Meisner;Liu Chen
中科院分区：
文献类型：
--
作者：
Jihui Yang;G. Meisner;Liu Chen
我们提出了一个模型计算的晶格热导率的ZrNiSn基半Heusler热电化合物的温度声子散射是由Umklapp和点缺陷散射为主。杂质和宿主原子之间的质量差异占主导地位的点缺陷散射合金铪的Zr亚晶格，而杂质和宿主原子之间的尺寸和原子间的耦合力的差异占主导地位的点缺陷散射合金钯的Ni亚晶格。由于Pt比Pd重且大，我们预测当Pt在这些半Heusler化合物的Ni亚晶格上合金化时，Pt将进一步降低晶格热导率。
We present a model calculation of the lattice thermal conductivity of ZrNiSn-based half-Heusler thermoelectric compounds for temperatures where phonon scattering is dominated by Umklapp and point defect scattering. The difference in mass between impurity and host atoms dominates point defect scattering for alloying Hf on the Zr sublattice, whereas differences in size and interatomic coupling forces between impurity and host atoms dominate point defect scattering for alloying Pd on the Ni sublattice. Because Pt is heavier and larger than Pd, we predict that Pt will further reduce lattice thermal conductivity when alloyed on the Ni sublattice of these half-Heusler compounds.