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Origin of the low thermal conductivity of the thermoelectric material beta-Zn(4)Sb(3): An ab initio theoretical study
Chen, WB; Li, JB; Chen, WB (reprint author), Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, POB 912, Beijing 100083, Peoples R China,jbli@semi.ac.cn
2011
Source PublicationAPPLIED PHYSICS LETTERS
ISSN0003-6951
Volume98Issue:24Pages:241901
AbstractBy modeling beta-Zn(4)Sb(3) material as a Zn(36)Sb(30) crystal with defects, the crystal structure and thermal properties of beta-Zn(4)Sb(3) are studied by ab initio method to explain its extremely low thermal conductivity at moderate temperature. The formation and migration energies of defects are calculated and used to explain the partial occupation of Zn at the lattice sites, the disordered local structures and the origin of the low thermal conductivity of beta-Zn(4)Sb(3). Our study also unravels the puzzling dependence of thermal conductivity on doping in beta-Zn(4)Sb(3). A doping strategy is proposed to improve the thermoelectric performance of beta-Zn(4)Sb(3). (C) 2011 American Institute of Physics. [doi:10.1063/1.3599483]
metadata_83半导体超晶格国家重点实验室
KeywordPhonon-glass Interstitial Zn Zn4sb3 Energy Zinc
Subject Area半导体物理
Funding OrganizationChinese Academy of Science; National Science Foundation[60925016]; National High Technology Research and Development program of China[2009AA034101]
Indexed BySCI
Language英语
Date Available2012-01-06
Document Type期刊论文
Identifierhttp://ir.semi.ac.cn/handle/172111/22701
Collection半导体超晶格国家重点实验室
Corresponding AuthorChen, WB (reprint author), Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, POB 912, Beijing 100083, Peoples R China,jbli@semi.ac.cn
Recommended Citation
GB/T 7714
Chen, WB,Li, JB,Chen, WB . Origin of the low thermal conductivity of the thermoelectric material beta-Zn(4)Sb(3): An ab initio theoretical study[J]. APPLIED PHYSICS LETTERS,2011,98(24):241901.
APA Chen, WB,Li, JB,&Chen, WB .(2011).Origin of the low thermal conductivity of the thermoelectric material beta-Zn(4)Sb(3): An ab initio theoretical study.APPLIED PHYSICS LETTERS,98(24),241901.
MLA Chen, WB,et al."Origin of the low thermal conductivity of the thermoelectric material beta-Zn(4)Sb(3): An ab initio theoretical study".APPLIED PHYSICS LETTERS 98.24(2011):241901.
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