Designing low thermal conductivity of RuO2 for thermoelectric applications
Designing low thermal conductivity of RuO2 for thermoelectric applications
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DOI：
10.1063/1.4909513
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发表时间：
2015-02
影响因子：
4
通讯作者：
D. Music;O. Kremer;G. Pernot;J. Schneider
中科院分区：
文献类型：
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作者：
D. Music;O. Kremer;G. Pernot;J. Schneider
我们已经应用Umklapp声子声子和声子缺陷散射计算的非合金以及Fe和La合金的RuO 2的热导率（P42/mnm）。这些模型是计算效率和参数自由，因为它们是由密度泛函理论支持。我们预测合金化后热导率的数量级下降，这对于热电应用是有益的，因为它增加了品质因数。磁控溅射薄膜的热反射实验结果与理论计算结果相吻合。这里采用的研究策略也可能是有益的设计阶段，需要操纵的纠缠特性。
We have applied Umklapp phonon-phonon and phonon-defect scattering to calculate the thermal conductivity of unalloyed as well as Fe- and La-alloyed RuO2 (P42/mnm). These models are computationally efficient and parameter free as they are supported by density functional theory. We predict an order of magnitude drop in the thermal conductivity upon alloying, which is beneficial for thermoelectric applications as it increases the figure of merit. Thermal conductivity data obtained by thermoreflectance on magnetron sputtered thin films are consistent with the calculations. The here employed research strategy may also be beneficial for designing phases that require manipulation of entangled properties.