中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Restructured single parabolic band model for quick analysis in thermoelectricity

文献类型:期刊论文

作者Zhu, Jianbo2; Zhang, Xuemei1,3; Guo, Muchun2; Li, Jingyu3; Hu, Jinsuo2; Cai, Songting4; Cai, Wei2; Zhang, Yongsheng3; Sui, Jiehe2
刊名NPJ COMPUTATIONAL MATERIALS
出版日期2021-07-22
卷号7
DOI10.1038/s41524-021-00587-5
通讯作者Cai, Songting(songtingcainu@gmail.com) ; Zhang, Yongsheng(yshzhang@theory.issp.ac.cn) ; Sui, Jiehe(suijiehe@hit.edu.cn)
英文摘要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.
WOS关键词ENERGY-CONVERSION ; POWER FACTOR ; PERFORMANCE ; TRANSPORT
资助项目National Natural Science Foundation of China[11774347] ; Natural Science Foundation of Heilongjiang Province of China[ZD2020E003]
WOS研究方向Chemistry ; Materials Science
语种英语
WOS记录号WOS:000680857700001
出版者NATURE RESEARCH
资助机构National Natural Science Foundation of China ; Natural Science Foundation of Heilongjiang Province of China
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/123191]  
专题中国科学院合肥物质科学研究院
通讯作者Cai, Songting; Zhang, Yongsheng; Sui, Jiehe
作者单位1.Univ Sci & Technol China, Sci Isl Branch, Grad Sch, Hefei, Peoples R China
2.Harbin Inst Technol, Natl Key Lab Precis Hot Proc Met, Harbin, Peoples R China
3.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei, Peoples R China
4.Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA
推荐引用方式
GB/T 7714
Zhu, Jianbo,Zhang, Xuemei,Guo, Muchun,et al. Restructured single parabolic band model for quick analysis in thermoelectricity[J]. NPJ COMPUTATIONAL MATERIALS,2021,7.
APA Zhu, Jianbo.,Zhang, Xuemei.,Guo, Muchun.,Li, Jingyu.,Hu, Jinsuo.,...&Sui, Jiehe.(2021).Restructured single parabolic band model for quick analysis in thermoelectricity.NPJ COMPUTATIONAL MATERIALS,7.
MLA Zhu, Jianbo,et al."Restructured single parabolic band model for quick analysis in thermoelectricity".NPJ COMPUTATIONAL MATERIALS 7(2021).

入库方式: OAI收割

来源:合肥物质科学研究院

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