Electronic structure calculations using the augmented spherical wave method have been performed for CuRhO2. For this semiconductor crystallizing in the delafossite structure, it is found that the valence band maximum is mainly due to the 4d t2g orbitals of Rh^{3+}. The structural characterizations of CuRh(1-x)MgxO2 show a broad range of Mg^{2+} substitution for Rh^{3+} in this series, up to about 12%. Measurements of the resistivity and thermopower of the doped systems show a Fermi liquid-like behavior for temperatures up to about 1000K, resulting in a large weakly temperature dependent power factor. The thermopower is discussed both within the Boltzmann equation approach as based on the electronic structure calculations and the temperature independent correlation functions ratio approximation as based on the Kubo formalism.
Simultaneously optimizing the interdependent thermoelectric parameters in Ce(Ni$_{1-x}$Cu$_x$)$_2$Al$_3$
在近藤晶格体系CeNi $_2$ Al $_3$中用Cu取代Ni，同时优化了三个相互依赖的热电参数：热电功率、电导率和热导率，其中Cu的额外电子引起的导带电子变化是至关重要的.所获得的热电优值$zT$在100 K左右为0.125，与近藤化合物已知的最佳值相当。在Ce（Ni $_{1-x}$ Cu $_x$）$_2$ Al $_3$中实现了理想的热电优化，表明适当的近藤化合物的电子调谐是一种很有前途的低温应用高效热电材料。
A comparative study of different exchange-correlation functionals in understanding structural, electronic and thermoelectric properties of Fe$_{2}$VAl and Fe$_{2}$TiSn compounds
Scaling behavior in thermoelectric misfit cobalt oxides
我们研究了失配钴氧化物[Bi $_{1.7}$ Co $_{0.3}$ Ca $_{2}$ O $_{4}$ ] $^{RS}_{0.6}$ CoO $_{2}$的热电和热力学性质。发现一个大的负磁热电势的规模与磁场和温度揭示了显着的自旋熵贡献的热电性能产生一个常数S $_0\approx$ 60 $μ$ V K $^{-1}$等于高温渐近值的自旋1/2熵。低温比热测量使我们能够确定增强的电子部分与$γ\approx$ 50 mJ（摩尔K $^{2}$）$^{-1}$证明强相关性。因此，[Bi $_{1.7}$ Co $_{0.3}$ Ca $_{2}$ O $_{4}$ ] $^{RS}_{0.6}$ CoO $_{2}$、其他钴矿以及其他材料之间的关键比较揭示了作为$γ$的函数的热电低温斜率的普遍行为，从而证明了纯电子起源。这种潜在的通用标度行为表明，在失配钴氧化物的热电势的高室温值的结果从增加的自旋熵的贡献，以扩大电子之一。
