Restructured single parabolic band model for quick analysis in thermoelectricity

doi:10.1038/s41524-021-00587-5

	Restructured single parabolic band model for quick analysis in thermoelectricity
	Zhu, Jianbo 2; Zhang, Xuemei 1,3; Guo, Muchun 2; Li, Jingyu 3; Hu, Jinsuo 2; Cai, Songting 4; Cai, Wei 2; Zhang, Yongsheng 3; Sui, Jiehe 2
刊名	NPJ COMPUTATIONAL MATERIALS
	2021-07-22
卷号	7
DOI	10.1038/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.
资助项目	National Natural Science Foundation of China[11774347] ; Natural Science Foundation of Heilongjiang Province of China[ZD2020E003]
WOS关键词	ENERGY-CONVERSION ; POWER FACTOR ; PERFORMANCE ; TRANSPORT
WOS研究方向	Chemistry ; Materials Science
语种	英语
出版者	NATURE RESEARCH
WOS记录号	WOS:000680857700001
资助机构	National Natural Science Foundation of China ; Natural Science Foundation of Heilongjiang Province of China
内容类型	期刊论文
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).