We study the origin of the large thermopower in quasi-two-dimensional a$\tau$-type organic conductor, $\tau-(EDO-S,S-DMEDT-TTF)_2(AuBr_2)_{1+y}$ ($y\le 0.875$), from the view point of a "pudding mold"-type band structure. Wecalculate the electronic band structure using an \textit{ab initio} bandcalculation package, and obtain a tight binding model fit to the \textit{abinitio} band structure. Using the model and the Boltzmann's equation approach,we calculate the temperature dependence of the Seebeck coefficient. We concludethat the peculiar band structure is the origin of the large Seebeck coefficientand the appearance of the maximum value at a certain temperature.
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机译：我们研究了准二维a $ \ tau $型有机导体$ \ tau-（EDO-S，S-DMEDT-TTF）_2（AuBr_2）_ {1 + y} $中大火电的起源（$ y \ le 0.875 $），从“布丁模具”型带结构的角度来看。我们使用\ textit {ab initio}能带计算包来计算电子能带结构，并获得适合\ textit {abinitio}能带结构的紧密绑定模型。使用该模型和玻尔兹曼方程方法，我们计算了塞贝克系数的温度依赖性。我们得出结论，特殊的能带结构是大塞贝克系数的起源，并且是在一定温度下出现最大值的原因。
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