Enhanced thermoelectric performance of (Sb(0.75)Bi(0.25))(2)Te(3) compound from first-principles calculations

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	Enhanced thermoelectric performance of (Sb(0.75)Bi(0.25))(2)Te(3) compound from first-principles calculations
	H. Y. Lv; H. J. Liu; L. Pan; Y. W. Wen; X. J. Tan; J. Shi; X. F. Tang
	2010
发表期刊	Applied Physics Letters
ISSN	0003-6951
卷号	96 期号:14
摘要	The electronic properties of (Sb(0.75)Bi(0.25))(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.
部门归属	[lv, h. y.; liu, h. j.; pan, l.; wen, y. w.; tan, x. j.; shi, j.] wuhan univ, key lab artificial micro & nanostruct, minist educ, wuhan 430072, peoples r china. [lv, h. y.; liu, h. j.; pan, l.; wen, y. w.; tan, x. j.; shi, j.] wuhan univ, sch phys & technol, wuhan 430072, peoples r china. [shi, j.] int ctr mat phys, shenyang 110015, peoples r china. [tang, x. f.] wuhan univ technol, state key lab adv technol mat synth & proc, wuhan 430072, peoples r china.;liu, hj (reprint author), wuhan univ, key lab artificial micro & nanostruct, minist educ, wuhan 430072, peoples r china;phlhj@whu.edu.cn jshi@whu.edu.cn
关键词	Ab Initio Calculations Antimony Alloys Bismuth Alloys Boltzmann Equation Doping Relaxation Tellurium Alloys Thermal Conductivity Thermoelectricity Alloys Telluride Gas
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31360
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	H. Y. Lv,H. J. Liu,L. Pan,et al. Enhanced thermoelectric performance of (Sb(0.75)Bi(0.25))(2)Te(3) compound from first-principles calculations[J]. Applied Physics Letters,2010,96(14).
APA	H. Y. Lv.,H. J. Liu.,L. Pan.,Y. W. Wen.,X. J. Tan.,...&X. F. Tang.(2010).Enhanced thermoelectric performance of (Sb(0.75)Bi(0.25))(2)Te(3) compound from first-principles calculations.Applied Physics Letters,96(14).
MLA	H. Y. Lv,et al."Enhanced thermoelectric performance of (Sb(0.75)Bi(0.25))(2)Te(3) compound from first-principles calculations".Applied Physics Letters 96.14(2010).