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Effects of alkali metal element substitution on the thermoelectric properties of beta-Zn4Sb3

文献类型：期刊论文

作者Liu, Mian1,2,3; Xu, Kun2,3; Qin, Xiaoying1; Liu, Changsong1; Li, Zhe2,3
刊名MATERIALS RESEARCH EXPRESS
出版日期2019-12-01
卷号6
ISSN号2053-1591
关键词thermoelectric material thermoelectric performance Zn4Sb3
DOI10.1088/2053-1591/ab726f
通讯作者Qin, Xiaoying(xyqin@issp.ac.cn) ; Li, Zhe(zheli@mail.qjnu.edu.cn)
英文摘要The effects of alkali metal elements Na, Li, and K on the electronic structure and thermoelectric properties of beta-Zn4Sb3 were extensively studied based on first-principles electronic structure calculations and Boltzmann transport theories. We found that these alkali metal elements with s orbitals could bring resonant distortion in the electronic density of states (DOS). The effects of these resonant peaks on the thermoelectric properties of beta-Zn4Sb3 were analyzed. And the results showed that a similar to 13/13/20-fold increase on the room-temperature Seebeck coefficient of beta-Zn4Sb3 is achieved due to Na/Li/Kdoping respectively. Accordingly, the optimizing power factor/thermoelectric figure of merit of beta-Zn4Sb3 gets an about 1.69/1.43-fold increase at room temperature upon Na doping. And their corresponding optimal Fermi levels of three doped compounds all lie near and below the valence band maximum of the host.
WOS关键词PHONON-GLASS ; PHASE-TRANSITION ; ZN4SB3 ; COMPOUND ; DENSITY ; ZINC
资助项目National Natural Science Foundation of China[11674322] ; National Natural Science Foundation of China[51672278] ; Program for Innovative Research Team (in Science and Technology) in University of Yunnan Province ; Center for Computational Science, Hefei Institutes of Physical Sciences
WOS研究方向Materials Science
语种英语
出版者IOP PUBLISHING LTD
WOS记录号WOS:000516846800006
资助机构National Natural Science Foundation of China ; Program for Innovative Research Team (in Science and Technology) in University of Yunnan Province ; Center for Computational Science, Hefei Institutes of Physical Sciences
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/103905]  
专题中国科学院合肥物质科学研究院
通讯作者Qin, Xiaoying; Li, Zhe
作者单位1.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, POB 1129, Hefei 230031, Peoples R China
2.Qujing Normal Univ, Ctr Magnet Mat & Devices, Qujing 655011, Peoples R China
3.Qujing Normal Univ, Yunnan Higher Educ Inst, Key Lab Adv Funct & Low Dimens Mat, Qujing 655011, Peoples R China
推荐引用方式
GB/T 7714		 Liu, Mian,Xu, Kun,Qin, Xiaoying,et al. Effects of alkali metal element substitution on the thermoelectric properties of beta-Zn4Sb3[J]. MATERIALS RESEARCH EXPRESS,2019,6.
APA Liu, Mian,Xu, Kun,Qin, Xiaoying,Liu, Changsong,&Li, Zhe.(2019).Effects of alkali metal element substitution on the thermoelectric properties of beta-Zn4Sb3.MATERIALS RESEARCH EXPRESS,6.
MLA Liu, Mian,et al."Effects of alkali metal element substitution on the thermoelectric properties of beta-Zn4Sb3".MATERIALS RESEARCH EXPRESS 6(2019).

入库方式： OAI收割

来源：合肥物质科学研究院

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