The effects of alkaline-earth-metal-element doping on the thermoelectric properties of beta-Zn4Sb3 star
文献类型：期刊论文
| 作者 | Liu, Mian2,3; Liu, Changsong1 ; Qi, Xiaoying1
|
| 刊名 | EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS
 |
| 出版日期 | 2022-04-04 |
| 卷号 | 97 |
| ISSN号 | 1286-0042 |
| DOI | 10.1051/epjap/2022210237 |
| 通讯作者 | Liu, Mian(liumianytu@163.com) |
| 英文摘要 | The effects of alkaline-earth metal elements Ca, Sr, and Ba on the electronic structure and thermoelectric properties of beta-Zn4Sb3 were investigated by performing self-consistent ab initio electronic structure calculations within density functional theory and solving the Boltzmann transport equations within the relaxation time approximation. The results demonstrate that these alkaline-earth metal elements with s orbitals could introduce giant sharp resonant peaks in the electronic density of states (DOS) near the host valence band maximum in energy. And these deliberately engineered DOS peaks result in a sharp increase of the room-temperature Seebeck coefficient of beta-Zn4Sb3 by a factor of nearly 8/9/19, respectively. Additionally, with the simultaneous increase of conductivity and decline of carrier thermal conductivity upon Ca/Sr/Ba doping, potentially, at least, 10/4/2-fold increase in optimizing power factor, and 14/12/8-fold increase in thermoelectric figure of merit of beta-Zn4Sb3 at room temperature are achieved. And their corresponding optimal Fermi levels are all located near the host valence band maximum. |
| WOS关键词 | PHONON-GLASS ; THERMAL-CONDUCTIVITY ; PHASE-TRANSITION ; ZN4SB3 ; ZINC ; ANTIMONIDES ; ALLOYS |
| 资助项目 | Center for Computational Science, Hefei Institutes of Physical Sciences, Program for Innovative Research Team (in Science and Technology) in University of Yunnan Province[52062044] ; Center for Computational Science, Hefei Institutes of Physical Sciences, Program for Innovative Research Team (in Science and Technology) in University of Yunnan Province[11674322] ; Center for Computational Science, Hefei Institutes of Physical Sciences, Program for Innovative Research Team (in Science and Technology) in University of Yunnan Province[51972307] ; Center for Computational Science, Hefei Institutes of Physical Sciences, Program for Innovative Research Team (in Science and Technology) in University of Yunnan Province[1217040291] ; National Natural Science Foundation of China[52062044] ; National Natural Science Foundation of China[11674322] ; National Natural Science Foundation of China[51972307] ; National Natural Science Foundation of China[1217040291] |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000777769400001 |
| 出版者 | EDP SCIENCES S A |
| 资助机构 | Center for Computational Science, Hefei Institutes of Physical Sciences, Program for Innovative Research Team (in Science and Technology) in University of Yunnan Province ; National Natural Science Foundation of China |
| 源URL | [http://ir.hfcas.ac.cn:8080/handle/334002/128655]  |
| 专题 | 中国科学院合肥物质科学研究院 |
| 通讯作者 | Liu, Mian |
| 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, Key Lab Adv Funct & Low Dimens Mat Yunnan Higher, Qujing 655011, Peoples R China 3.Qujing Normal Univ, Coll Phys & Elect Engn, Ctr Magnet Mat & Devices, Qujing 655011, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, Mian,Liu, Changsong,Qi, Xiaoying. The effects of alkaline-earth-metal-element doping on the thermoelectric properties of beta-Zn4Sb3 star[J]. EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS,2022,97. |
| APA | Liu, Mian,Liu, Changsong,&Qi, Xiaoying.(2022).The effects of alkaline-earth-metal-element doping on the thermoelectric properties of beta-Zn4Sb3 star.EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS,97. |
| MLA | Liu, Mian,et al."The effects of alkaline-earth-metal-element doping on the thermoelectric properties of beta-Zn4Sb3 star".EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS 97(2022). |
入库方式： OAI收割
来源：合肥物质科学研究院
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