Thermoelectric Power in Metals-Quantitative Evaluation from the Electronic Structure-
Thermoelectric Power in Metals-Quantitative Evaluation from the Electronic Structure-
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金属中的热电势-从电子结构定量评价-
DOI：
10.2320/jinstmet.69.403
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发表时间：
2005
影响因子：
--
通讯作者：
T. Takeuchi
中科院分区：
文献类型：
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作者：
T. Takeuchi
热电材料作为一种最有效的节能技术，近年来引起了人们的极大兴趣。然而，不幸的是，生产高热电性能热电材料的指导原则尚未建立，并且大多数改善其性能的努力都是基于经验思想进行的。这种不利的情况不是由理论工作的延迟造成的，而是由理论中采用的近似方法造成的。为了澄清常用的近似方法和公式中存在的问题，本文在Mott考虑的基础上，详细阐述了计算金属样品热电势的新思想和所得到的严格公式。由于热电功率是由光谱电导率s（e）直接计算的，而电子结构是最重要的参数，因此，精确确定费米能级附近的电子结构对定量计算热电功率具有重要意义。介绍了一种利用严格公式和电子结构的数值数据来定量计算热电势的大小和温度依赖性的简单方法。对于电子结构的测定，介绍了两种不同的方法：高分辨率的光电子能谱和LMTO的阿萨带计算与可靠的结构参数确定的Rietveld分析。本文用实例说明，金属体系的热电势可以由费米能级附近的电子结构定量估算，并说明本文所介绍的新方法可用于高性能热电器件的材料结构设计。
Recently thermoelectric materials have attracted a great deal of interests because of their ability in the practical use as one of the most effective energysaving technologies. Unfortunately, however, the guiding principle to produce a highperformance thermoelectric material has not been established yet, and the most of the efforts to improve their performance have been conducted based on the empirical ideas. This unfavorable situation is not caused by a delay in the theoretical works but by the approximations employed in the theories. In order to clarify the problems in the frequently employed approximations and the resulting formulas, new ideas to calculate the thermoelectric power in the metallic samples and the obtained rigorous formula are explained in detail on the basis of the Mott's consideration. It is stressed with a help of the resulting rigorous formula that the accurate determination of the electronic structure near the Fermi level is of great importance to quantitatively evaluate the thermoelectric power, because thermoelectric power is directly calculated from the spectral conductivity s(e) in which the electronic structure plays a key role as the most important parameter. A simple method using the rigorous formula with the numerical data of the electronic structure is introduced to quantitatively evaluate the magnitude and the temperature dependence of the thermoelectric power. For the electronic structure determination, two different methods are introduced; the highresolution photoemission spectroscopy and the LMTOASA band calculation with reliable structure parameters determined by the Rietveld analysis. In this review paper, it is clearly demonstrated by use of some practical examples that the thermoelectric power in metallic systems can be quantitatively estimated from the electronic structure near the Fermi level, and that the method newly introduced in this paper should be employed in the materialdesign of the highperformance thermoelectric devices.
Al_<82.6-x>Re_<17.4>Si_x 1/1-立方近似的热电性能
DOI：
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发表时间：
2004
期刊：
Physical Review B 70
影响因子：
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作者：
T.Takeuchi;T.Otagiri;H.Sakagami;T.Kondo;U.Mizutani;H.Sato
通讯作者：
H.Sato
T. Sato、T. Kamiyama、T. Takahashi、J. Mesot、A. Kaminski、J. C. Campuzano、H. M. Fretwell、T. Takeuchi、H. Ding、I. Chong、T. Terashima、M. Takano：“证据
DOI：
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发表时间：
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Al82.6-xRe17.4Six (7 ÅOxÅO12) 1/1-1/1-1/1 近似值中局部原子排列和电子结构对高电阻率的贡献
DOI：
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发表时间：
2003
期刊：
Physical Review B 68
影响因子：
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作者：
T.Takeuchi;T.Onogi;H.Sato;T.Otagiri;U.Mizutani;K.Kato;T.Kamiyama
通讯作者：
T.Kamiyama