Enhanced thermoelectric performance of (Sb0.75Bi0.25)(2)Te-3 compound from first-principles calculations

doi:10.1063/1.3372636

IMR OpenIR

	Enhanced thermoelectric performance of (Sb0.75Bi0.25)(2)Te-3 compound from first-principles calculations
	Lv, H. Y.1,2; Liu, H. J.1,2; Pan, L.1,2; Wen, Y. W.1,2; Tan, X. J.1,2; Shi, J.1,2,3; Tang, X. F.4
通讯作者	Liu, H. J.(phlhj@whu.edu.cn)
	2010-04-05
发表期刊	APPLIED PHYSICS LETTERS
ISSN	0003-6951
卷号	96 期号:14 页码:3
摘要	The electronic properties of (Sb0.75Bi0.25)(2)Te-3 compound are examined by using the full-potential linearized augmented plane-wave method. The transport coefficients are then calculated within the semiclassical Boltzmann theory, and further evaluated as a function of chemical potential assuming a rigid band picture and constant relaxation time. The ZT value is thus estimated by inserting an averaged thermal conductivity. Our theoretical calculations give a valuable insight on how to enhance the thermoelectric performance of this compound, and many potential doping elements and their optimal concentrations are suggested.
关键词	ab initio calculations antimony alloys bismuth alloys Boltzmann equation doping relaxation tellurium alloys thermal conductivity thermoelectricity
资助者	973 Program of China ; New Century Excellent Talents in University ; Natural Science Foundation for the Outstanding Young Scientists of Hubei Province
DOI	10.1063/1.3372636
收录类别	SCI
语种	英语
资助项目	973 Program of China[2007CB607501] ; New Century Excellent Talents in University ; Natural Science Foundation for the Outstanding Young Scientists of Hubei Province
WOS研究方向	Physics
WOS类目	Physics, Applied
WOS记录号	WOS:000276554600031
出版者	AMER INST PHYSICS
引用统计	被引频次：42[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/100227
专题	中国科学院金属研究所
通讯作者	Liu, H. J.
作者单位	1.Wuhan Univ, Key Lab Artificial Micro & Nanostruct, Minist Educ, Wuhan 430072, Peoples R China 2.Wuhan Univ, Sch Phys & Technol, Wuhan 430072, Peoples R China 3.Int Ctr Mat Phys, Shenyang 110015, Peoples R China 4.Wuhan Univ Technol, State Key Lab Adv Technol Mat Synth & Proc, Wuhan 430072, Peoples R China
推荐引用方式 GB/T 7714	Lv, H. Y.,Liu, H. J.,Pan, L.,et al. Enhanced thermoelectric performance of (Sb0.75Bi0.25)(2)Te-3 compound from first-principles calculations[J]. APPLIED PHYSICS LETTERS,2010,96(14):3.
APA	Lv, H. Y..,Liu, H. J..,Pan, L..,Wen, Y. W..,Tan, X. J..,...&Tang, X. F..(2010).Enhanced thermoelectric performance of (Sb0.75Bi0.25)(2)Te-3 compound from first-principles calculations.APPLIED PHYSICS LETTERS,96(14),3.
MLA	Lv, H. Y.,et al."Enhanced thermoelectric performance of (Sb0.75Bi0.25)(2)Te-3 compound from first-principles calculations".APPLIED PHYSICS LETTERS 96.14(2010):3.