Abstract First, we solve a semi-classical electronic Boltzmann transport equation and acquire the thermoelectric coefficients for a pure unit cell using the rigid-band approximation. Then, combined with the existing experimental results, we not only reproduce the Seebeck coefficients and electrical conductivity but also yield the carrier concentrations and relaxation time, which cannot be obtained by either experiments or theories alone. Our results are in good agreement with the experiment for all doping samples. Furthermore, we show that Wiedemann-Franz law fails to connect the electronic thermal conductivity with the electrical conductivity. We also show that the Hall effect fails to measure carrier concentration in this study. We attribute these failures to the breakdown of the parabolic band. We think that our approach can be extended to other alloy or compound thermoelectric materials that utilize electronic transport property because they all have problems identifying relaxation time and carrier concentrations.

中文翻译：

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结合理论和实验确定掺碲CoSb3的热电特性

摘要 首先，我们求解半经典电子玻尔兹曼输运方程，并使用刚带近似获得纯晶胞的热电系数。然后，结合现有的实验结果，我们不仅再现了塞贝克系数和电导率，而且还得出了载流子浓度和弛豫时间，这是仅靠实验或理论无法获得的。我们的结果与所有掺杂样品的实验非常吻合。此外，我们表明 Wiedemann-Franz 定律未能将电子热导率与电导率联系起来。我们还表明，霍尔效应无法在本研究中测量载流子浓度。我们将这些失败归因于抛物线带的破裂。