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Band structure modification of the thermoelectric Heusler-phase TiFe2Sn via Mn substitution

文献类型：期刊论文

作者Zou, Tianhua1; Jia, Tiantian2,3; Xie, Wenjie1; Zhang, Yongsheng2,3; Widenmeyer, Marc1; Xiaoa, Xingxing1; Weidenkaff, Anke1
刊名PHYSICAL CHEMISTRY CHEMICAL PHYSICS
出版日期2017-07-28
卷号19期号:28页码:18273-18278
DOI10.1039/c7cp02744c
文献子类Article
英文摘要Doping (or substitution)-induced modification of the electronic structure to increase the electronic density of states (eDOS) near the Fermi level is considered as an effective strategy to enhance the Seebeck coefficient, and may consequently boost the thermoelectric performance. Through density-functional theory calculations of Mn-substituted TiFe2 xMnxSn compounds, we demonstrate that the d-states of the substituted Mn atoms induce a strong resonant level near the Fermi energy. Our experimental results are in good agreement with the calculations. They show that Mn substitution results in a large increase of the Seebeck coefficient, arising from an enhanced eDOS in Heusler compounds. The results prove that a proper substitution position and element selection can increase the eDOS, leading to a higher Seebeck coefficient and thermoelectric performance of ecofriendly materials.
WOS关键词DENSITY-OF-STATES ; TRANSPORT-PROPERTIES ; NANOCOMPOSITES ; ENHANCEMENT ; ALLOYS ; FE2VAL
WOS研究方向Chemistry ; Physics
语种英语
WOS记录号WOS:000406089200018
资助机构Deutsche Forschungsgemeinschaft(WE 2803/2-2 ; Deutsche Forschungsgemeinschaft(WE 2803/2-2 ; Deutsche Forschungsgemeinschaft(WE 2803/2-2 ; Deutsche Forschungsgemeinschaft(WE 2803/2-2 ; Deutsche Forschungsgemeinschaft(WE 2803/2-2 ; Deutsche Forschungsgemeinschaft(WE 2803/2-2 ; Deutsche Forschungsgemeinschaft(WE 2803/2-2 ; Deutsche Forschungsgemeinschaft(WE 2803/2-2 ; National Natural Science Foundation of China(11474283) ; National Natural Science Foundation of China(11474283) ; National Natural Science Foundation of China(11474283) ; National Natural Science Foundation of China(11474283) ; National Natural Science Foundation of China(11474283) ; National Natural Science Foundation of China(11474283) ; National Natural Science Foundation of China(11474283) ; National Natural Science Foundation of China(11474283) ; Major/Innovative Program of Development Foundation of Hefei Center for Physical Science and Technology(2014FXCX001) ; Major/Innovative Program of Development Foundation of Hefei Center for Physical Science and Technology(2014FXCX001) ; Major/Innovative Program of Development Foundation of Hefei Center for Physical Science and Technology(2014FXCX001) ; Major/Innovative Program of Development Foundation of Hefei Center for Physical Science and Technology(2014FXCX001) ; Major/Innovative Program of Development Foundation of Hefei Center for Physical Science and Technology(2014FXCX001) ; Major/Innovative Program of Development Foundation of Hefei Center for Physical Science and Technology(2014FXCX001) ; Major/Innovative Program of Development Foundation of Hefei Center for Physical Science and Technology(2014FXCX001) ; Major/Innovative Program of Development Foundation of Hefei Center for Physical Science and Technology(2014FXCX001) ; SPP 1386) ; SPP 1386) ; SPP 1386) ; SPP 1386) ; SPP 1386) ; SPP 1386) ; SPP 1386) ; SPP 1386) ; Deutsche Forschungsgemeinschaft(WE 2803/2-2 ; Deutsche Forschungsgemeinschaft(WE 2803/2-2 ; Deutsche Forschungsgemeinschaft(WE 2803/2-2 ; Deutsche Forschungsgemeinschaft(WE 2803/2-2 ; Deutsche Forschungsgemeinschaft(WE 2803/2-2 ; Deutsche Forschungsgemeinschaft(WE 2803/2-2 ; Deutsche Forschungsgemeinschaft(WE 2803/2-2 ; Deutsche Forschungsgemeinschaft(WE 2803/2-2 ; National Natural Science Foundation of China(11474283) ; National Natural Science Foundation of China(11474283) ; National Natural Science Foundation of China(11474283) ; National Natural Science Foundation of China(11474283) ; National Natural Science Foundation of China(11474283) ; National Natural Science Foundation of China(11474283) ; National Natural Science Foundation of China(11474283) ; National Natural Science Foundation of China(11474283) ; Major/Innovative Program of Development Foundation of Hefei Center for Physical Science and Technology(2014FXCX001) ; Major/Innovative Program of Development Foundation of Hefei Center for Physical Science and Technology(2014FXCX001) ; Major/Innovative Program of Development Foundation of Hefei Center for Physical Science and Technology(2014FXCX001) ; Major/Innovative Program of Development Foundation of Hefei Center for Physical Science and Technology(2014FXCX001) ; Major/Innovative Program of Development Foundation of Hefei Center for Physical Science and Technology(2014FXCX001) ; Major/Innovative Program of Development Foundation of Hefei Center for Physical Science and Technology(2014FXCX001) ; Major/Innovative Program of Development Foundation of Hefei Center for Physical Science and Technology(2014FXCX001) ; Major/Innovative Program of Development Foundation of Hefei Center for Physical Science and Technology(2014FXCX001) ; SPP 1386) ; SPP 1386) ; SPP 1386) ; SPP 1386) ; SPP 1386) ; SPP 1386) ; SPP 1386) ; SPP 1386)
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/33549]  
专题合肥物质科学研究院_中科院固体物理研究所
作者单位1.Univ Stuttgart, Inst Mat Sci, D-70569 Stuttgart, Germany
2.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Anhui, Peoples R China
3.Univ Sci & Technol China, Hefei 230026, Anhui, Peoples R China
推荐引用方式
GB/T 7714		 Zou, Tianhua,Jia, Tiantian,Xie, Wenjie,et al. Band structure modification of the thermoelectric Heusler-phase TiFe2Sn via Mn substitution[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2017,19(28):18273-18278.
APA Zou, Tianhua.,Jia, Tiantian.,Xie, Wenjie.,Zhang, Yongsheng.,Widenmeyer, Marc.,...&Weidenkaff, Anke.(2017).Band structure modification of the thermoelectric Heusler-phase TiFe2Sn via Mn substitution.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,19(28),18273-18278.
MLA Zou, Tianhua,et al."Band structure modification of the thermoelectric Heusler-phase TiFe2Sn via Mn substitution".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19.28(2017):18273-18278.

入库方式： OAI收割

来源：合肥物质科学研究院

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