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Abstract：
Thermoelectric materials with a high Seebeck coefficient, high electrical conductivity, and low thermal conductivity are required to directly and efficiently convert unused heat into electricity. In this study, we construct models predicting the Seebeck coefficient, electrical conductivity, and thermal conductivity using existing material databases. In addition to the ratios of atoms in the crystals and temperature at which the materials are used, the values from the X-ray diffraction (XRD) spectra were used as inputs to represent the crystal structure of the materials. It was confirmed that the constructed models could predict the properties with high accuracy using the X-ray diffraction values. Additionally, using the constructed models, we succeeded in proposing promising new candidate materials with high Seebeck coefficients, high electric conductivities, and low thermal conductivities.
摘要：
具有高塞贝克系数的热电材料，高导电性，和低热导率需要直接和有效地将未使用的热量转化为电能。在这项研究中,我们构建了预测塞贝克系数的模型，电导率，和使用现有材料数据库的热导率。除了晶体中原子的比例和使用材料的温度之外，来自X射线衍射(XRD)光谱的值用作表示材料的晶体结构的输入。证实了所构建的模型可以使用X射线衍射值高精度地预测特性。此外,使用构建的模型，我们成功地提出了具有高塞贝克系数的有前途的新候选材料，高电导率，和低热导率。
