| 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 Author | Liu, H. J.(phlhj@whu.edu.cn) |
| 2010-04-05 | |
| Source Publication | APPLIED PHYSICS LETTERS
 |
| ISSN | 0003-6951 |
| Volume | 96Issue:14Pages:3 |
| Abstract | 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. |
| Keyword | ab initio calculations antimony alloys bismuth alloys Boltzmann equation doping relaxation tellurium alloys thermal conductivity thermoelectricity |
| Funding Organization | 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 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | 973 Program of China[2007CB607501] ; New Century Excellent Talents in University ; Natural Science Foundation for the Outstanding Young Scientists of Hubei Province |
| WOS Research Area | Physics |
| WOS Subject | Physics, Applied |
| WOS ID | WOS:000276554600031 |
| Publisher | AMER INST PHYSICS |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/100227 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Liu, H. J. |
| Affiliation | 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 |
| 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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