Dopant Induced Impurity Bands and Carrier Concentration Control for Thermoelectric Enhancement in p-Type Cr2Ge2Te6

doi:10.1021/acs.chemmater.7b02346

CORC > 重庆绿色智能技术研究院 > 中国科学院重庆绿色智能技术研究院 > 机器人与3D打印技术创新中心

	Dopant Induced Impurity Bands and Carrier Concentration Control for Thermoelectric Enhancement in p-Type Cr2Ge2Te6
	Tang, Xiaodan 1,4; Fang, Dengdong 2,3; Peng, Kunling 1,4; Yang, Dingfeng 6; Guo, Lijie 1; Lu, Xu 1; Dai, Jiyan 5; Wang, Guoyu4 ; Liu, Huijun 2,3; Zhou, Xiaoyuan 1
刊名	CHEMISTRY OF MATERIALS
	2017-09-12
卷号	29 期号:17 页码:7401-7407
ISSN号	0897-4756
DOI	10.1021/acs.chemmater.7b02346
通讯作者	Zhou, XY (reprint author), Chongqing Univ, Coll Phys, Chongqing 401331, Peoples R China. ; Liu, HJ (reprint author), Wuhan Univ, Minist Educ, Key Lab Artificial Micro & Nanostruct, Wuhan 430072, Hubei, Peoples R China. ; Liu, HJ (reprint author), Wuhan Univ, Sch Phys & Technol, Wuhan 430072, Hubei, Peoples R China.
英文摘要	Our previous work demonstrated that Cr2Ge2Te6 based compounds with a layered structure and high symmetry are good candidates for thermoelectric to, application. However, the power factor of only,0.23 mW/mK(2) in undoped material is much lower than that of conventional thermoelectrics. This indicates the importance of an electronic performance optimization for further improvements. In this work, either Mn- or Fe-substitution on the Cr site is investigated, with expectations of both carrier concentration control and band structure engineering. First principle calculations indicate that an orbital hybridization between d orbitals of the doping atom and the p orbital of Te significantly increases the density of states (DOS) around the Fermi level. In addition, it is found that Mn doping is more favorable to improve the electrical properties than Fe doping. By tuning the carrier concentration via Mn doping, the peak power factor rises rapidly from 0.23 mW/mK(2) to 0.57 mW/mK(2) at 830 K with x = 0.05. Combined with the intrinsic low thermal conductivity, Cr1.9Mn0.1Ge2Te6 displays a decent zT of 0.63 at 833 K, a 2-fold value as compared to that of the undoped sample at the same direction and temperature.
资助项目	National Natural Science Foundation of China[11344010] ; National Natural Science Foundation of China[11404044] ; National Natural Science Foundation of China[51472036] ; National Natural Science Foundation of China[51672270] ; National Natural Science Foundation of China[51401202] ; Fundamental Research Funds for the Central Universities[106112016CDJZR308808] ; 100 Talent Program of the Chinese Academy of Sciences[2013-46] ; Project for Fundamental and Frontier Research in Chongqing[CSTC2015JCYJBX0026]
WOS研究方向	Chemistry ; Materials Science
语种	英语
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000410868600043
内容类型	期刊论文
源URL	[http://172.16.51.4:88/handle/2HOD01W0/156]
专题	机器人与3D打印技术创新中心
通讯作者	Liu, Huijun; Zhou, Xiaoyuan
作者单位	1.Chongqing Univ, Coll Phys, Chongqing 401331, Peoples R China 2.Wuhan Univ, Minist Educ, Key Lab Artificial Micro & Nanostruct, Wuhan 430072, Hubei, Peoples R China 3.Wuhan Univ, Sch Phys & Technol, Wuhan 430072, Hubei, Peoples R China 4.Chinese Acad Sci, Chongqing Inst Green & Intelligent Technol, Chongqing 400714, Peoples R China 5.Hong Kong Polytech Univ Kowloon, Dept Appl Phys, Kowloon, Hong Kong, Peoples R China 6.Beijing Univ Technol, Inst Microstruct & Properties Adv Mat, Beijing 100124, Peoples R China
推荐引用方式 GB/T 7714	Tang, Xiaodan,Fang, Dengdong,Peng, Kunling,et al. Dopant Induced Impurity Bands and Carrier Concentration Control for Thermoelectric Enhancement in p-Type Cr2Ge2Te6[J]. CHEMISTRY OF MATERIALS,2017,29(17):7401-7407.
APA	Tang, Xiaodan.,Fang, Dengdong.,Peng, Kunling.,Yang, Dingfeng.,Guo, Lijie.,...&Zhou, Xiaoyuan.(2017).Dopant Induced Impurity Bands and Carrier Concentration Control for Thermoelectric Enhancement in p-Type Cr2Ge2Te6.CHEMISTRY OF MATERIALS,29(17),7401-7407.
MLA	Tang, Xiaodan,et al."Dopant Induced Impurity Bands and Carrier Concentration Control for Thermoelectric Enhancement in p-Type Cr2Ge2Te6".CHEMISTRY OF MATERIALS 29.17(2017):7401-7407.