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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
Corresponding AuthorLiu, H. J.(phlhj@whu.edu.cn)
2010-04-05
Source PublicationAPPLIED PHYSICS LETTERS
ISSN0003-6951
Volume96Issue:14Pages:3
AbstractThe 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.
Keywordab initio calculations antimony alloys bismuth alloys Boltzmann equation doping relaxation tellurium alloys thermal conductivity thermoelectricity
Funding Organization973 Program of China ; New Century Excellent Talents in University ; Natural Science Foundation for the Outstanding Young Scientists of Hubei Province
DOI10.1063/1.3372636
Indexed BySCI
Language英语
Funding Project973 Program of China[2007CB607501] ; New Century Excellent Talents in University ; Natural Science Foundation for the Outstanding Young Scientists of Hubei Province
WOS Research AreaPhysics
WOS SubjectPhysics, Applied
WOS IDWOS:000276554600031
PublisherAMER INST PHYSICS
Citation statistics
Cited Times:39[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/100227
Collection中国科学院金属研究所
Corresponding AuthorLiu, H. J.
Affiliation1.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
Recommended Citation
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.
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