Restructured single parabolic band model for quick analysis in thermoelectricity
| Autor: | Wei Cai, Muchun Guo, Jiehe Sui, Songting Cai, Jinsuo Hu, Yongsheng Zhang, Jianbo Zhu, Jingyu Li, Xuemei Zhang |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
Work (thermodynamics)
Electron mobility 02 engineering and technology 010402 general chemistry 01 natural sciences symbols.namesake QA76.75-76.765 Effective mass (solid-state physics) Thermal conductivity Approximation error Thermoelectric effect General Materials Science Computer software Electronic band structure Materials of engineering and construction. Mechanics of materials Physics Fermi level 021001 nanoscience & nanotechnology 0104 chemical sciences Computer Science Applications Computational physics Mechanics of Materials Modeling and Simulation symbols TA401-492 0210 nano-technology |
| Zdroj: | npj Computational Materials, Vol 7, Iss 1, Pp 1-8 (2021) |
| ISSN: | 2057-3960 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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