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Restructured single parabolic band model for quick analysis in thermoelectricity 被引量:1

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摘要 The single parabolic band(SPB)model has been widely used to preliminarily elucidate inherent transport behaviors of thermoelectric(TE)materials,such as their band structure and electronic thermal conductivity,etc.However,in the SPB calculation,it is necessary to determine some intermediate variables,such as Fermi level or the complex Fermi-Dirac integrals.In this work,we establish a direct carrier-concentration-dependent restructured SPB model,which eliminates Fermi-Dirac integrals and Fermi level calculation and emerges stronger visibility and usability in experiments.We have verified the reliability of such restructured model with 490 groups of experimental data from state-of-the-art TE materials and the relative error is less than 2%.Moreover,carrier effective mass,intrinsic carrier mobility and optimal carrier concentration of these materials are systematically investigated.We believe that our work can provide more convenience and accuracy for thermoelectric data analysis as well as instructive understanding on future optimization design.
出处 《npj Computational Materials》 SCIE EI CSCD 2021年第1期1053-1060,共8页 计算材料学(英文)
基金 J.S.acknowledges financial support from the National Natural Science Foundation of China(Nos.51771065 and 51871082) the Natural Science Foundation of Heilongjiang Province of China(No.ZD2020E003) Y.Z.acknowledges financial support from the National Natural Science Foundation of China(Grant No.11774347).
关键词 PARABOLIC FERMI instru
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