Origin of the low thermal conductivity of the thermoelectric material beta-Zn(4)Sb(3): An ab initio theoretical study
文献类型：期刊论文
| ; | |
| 作者 | 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 |
| 刊名 | applied physics letters
 ; APPLIED PHYSICS LETTERS
|
| 出版日期 | 2011 ; 2011 |
| 卷号 | 98期号:24页码:241901 |
| 关键词 | PHONON-GLASS INTERSTITIAL ZN ZN4SB3 ENERGY ZINC Phonon-glass Interstitial Zn Zn4sb3 Energy Zinc |
| ISSN号 | 0003-6951 ; 0003-6951 |
| 通讯作者 | 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 |
| 英文摘要 | By 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] |
| 学科主题 | 半导体物理 ; 半导体物理 |
| 收录类别 | SCI |
| 资助信息 | chinese academy of science; national science foundation[60925016]; national high technology research and development program of china[2009aa034101] |
| 语种 | 英语 ; 英语 |
| 资助机构 | Chinese Academy of Science; National Science Foundation[60925016]; National High Technology Research and Development program of China[2009AA034101] |
| 公开日期 | 2012-01-06 ; 2012-01-06 |
| 源URL | [http://ir.semi.ac.cn/handle/172111/22701]  |
| 专题 | 半导体研究所_半导体超晶格国家重点实验室 |
| 通讯作者 | 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 |
| 推荐引用方式 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, Origin of the low thermal conductivity of the thermoelectric material beta-Zn(4)Sb(3): An ab initio theoretical study[J]. applied physics letters, APPLIED PHYSICS LETTERS,2011, 2011,98, 98(24):241901, 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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来源：半导体研究所
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