Effect of Isovalent Substitution on the Thermoelectric Properties of the Cu2ZnGeSe4-xSx Series of Solid Solutions
Effect of Isovalent Substitution on the Thermoelectric Properties of the Cu2ZnGeSe4-xSx Series of Solid Solutions
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DOI：
10.1021/ja410753k
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发表时间：
2014-01-08
影响因子：
15
通讯作者：
Tremel, Wolfgang
中科院分区：
文献类型：
--
作者：
Heinrich, Christophe P.;Day, Tristan W.;Tremel, Wolfgang
结构-性能关系的知识是材料设计的一个关键特征。热传输的控制已被证明是至关重要的热电材料的优化。本文报道了完全固溶体系列Cu 2 ZnGeSe 4-xSx（x = 0-4）的合成、化学表征、热电输运性质和热输运计算。在整个替代系列的晶格参数，键距，光学带隙能量，和声速的连续Vegard样的行为被发现，这使得这些属性的调谐调整的初始组合物。特殊的硫属元素的位置的细化揭示了键角的变化，导致可能影响运输性能的晶体应变。热输运测量表明，在室温下的热传导率的42%的减少所引入的无序触发。质量和应变对比度的热传输计算表明，导热系数的降低的34%是由于质量对比度和8%是由于晶体应变。
Knowledge of structure property relationships is a key feature of materials design. The control of thermal transport has proven to be crucial for the optimization of thermoelectric materials. We report the synthesis, chemical characterization, thermoelectric transport properties, and thermal transport calculations of the complete solid solution series Cu2ZnGeSe4-xSx (x = 0-4). Throughout the substitution series a continuous Vegard-like behavior of the lattice parameters, bond distances, optical band gap energies, and sound velocities are found, which enables the tuning of these properties adjusting the initial composition. Refinements of the special chalcogen positions revealed a change in bonding angles, resulting in crystallographic strain possibly affecting transport properties. Thermal transport measurements showed a reduction in the room-temperature thermal conductivity of 42% triggered by the introduced disorder. Thermal transport calculations of mass and strain contrast revealed that 34% of the reduction in thermal conductivity is due to the mass contrast only and 8% is due to crystallographic strain.