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Article: Effect of group-3 elements doping on promotion of in-plane Seebeck coefficient of n-type Mg3Sb2

TitleEffect of group-3 elements doping on promotion of in-plane Seebeck coefficient of n-type Mg3Sb2
Authors
KeywordsThermoelectric materials
Mg3Sb2-based alloys
group-3 elements
n-type dopants
Issue Date2020
PublisherElsevier for Chinese Ceramic Society. The Journal's web site is located at http://www.journals.elsevier.com/journal-of-materiomics
Citation
Journal of Materiomics, 2020, v. 6, p. 274-279 How to Cite?
AbstractMg3Sb2-based alloys are promising thermoelectric materials with a reasonably low thermal conductivity. However, their electrical transport property is usually limited by the low carrier concentration. Mg3Sb2 has a multi-valley conduction band with a six-fold degeneracy, benefiting n-type thermoelectric performance. Recently, n-type Y-doped Mg3Sb1.5Bi0.5 and Sc-doped Mg3Sb2eMg3Bi2 alloys show a large figure of merit (ZT). In this paper, the doping effect of group-3 and chalcogen elements on the electronic structures and electrical transport properties of Mg3Sb2 was investigated via the first-principles calculations. Chalcogen elements have a slight effect on the electronic structure, and Te-doped Mg3Sb2 shows better normalized power factors in both the out-of-plane and in-plane directions, compared to the Sdoped and Se-doped systems. Distinctly different doping effects appear in Mg3Sb2 doped with group-3 elements. A increased density of states near the bottom of the conduction band can be induced by Sc or Y. Sc-doped and Y-doped Mg3Sb2 show higher normalized power factors along the in-plane direction than those doped with chalcogens.
Persistent Identifierhttp://hdl.handle.net/10722/283385
ISSN
2020 Impact Factor: 6.425
2020 SCImago Journal Rankings: 1.697
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorXIA, C-
dc.contributor.authorCUI, J-
dc.contributor.authorChen, Y-
dc.date.accessioned2020-06-22T02:55:46Z-
dc.date.available2020-06-22T02:55:46Z-
dc.date.issued2020-
dc.identifier.citationJournal of Materiomics, 2020, v. 6, p. 274-279-
dc.identifier.issn2352-8478-
dc.identifier.urihttp://hdl.handle.net/10722/283385-
dc.description.abstractMg3Sb2-based alloys are promising thermoelectric materials with a reasonably low thermal conductivity. However, their electrical transport property is usually limited by the low carrier concentration. Mg3Sb2 has a multi-valley conduction band with a six-fold degeneracy, benefiting n-type thermoelectric performance. Recently, n-type Y-doped Mg3Sb1.5Bi0.5 and Sc-doped Mg3Sb2eMg3Bi2 alloys show a large figure of merit (ZT). In this paper, the doping effect of group-3 and chalcogen elements on the electronic structures and electrical transport properties of Mg3Sb2 was investigated via the first-principles calculations. Chalcogen elements have a slight effect on the electronic structure, and Te-doped Mg3Sb2 shows better normalized power factors in both the out-of-plane and in-plane directions, compared to the Sdoped and Se-doped systems. Distinctly different doping effects appear in Mg3Sb2 doped with group-3 elements. A increased density of states near the bottom of the conduction band can be induced by Sc or Y. Sc-doped and Y-doped Mg3Sb2 show higher normalized power factors along the in-plane direction than those doped with chalcogens.-
dc.languageeng-
dc.publisherElsevier for Chinese Ceramic Society. The Journal's web site is located at http://www.journals.elsevier.com/journal-of-materiomics-
dc.relation.ispartofJournal of Materiomics-
dc.rightsThis work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.-
dc.subjectThermoelectric materials-
dc.subjectMg3Sb2-based alloys-
dc.subjectgroup-3 elements-
dc.subjectn-type dopants-
dc.titleEffect of group-3 elements doping on promotion of in-plane Seebeck coefficient of n-type Mg3Sb2-
dc.typeArticle-
dc.identifier.emailChen, Y: yuechen@hku.hk-
dc.identifier.authorityChen, Y=rp01925-
dc.description.naturepublished_or_final_version-
dc.identifier.doi10.1016/j.jmat.2020.03.003-
dc.identifier.scopuseid_2-s2.0-85082415348-
dc.identifier.hkuros310523-
dc.identifier.volume6-
dc.identifier.spage274-
dc.identifier.epage279-
dc.identifier.isiWOS:000531837000005-
dc.publisher.placeNetherlands-
dc.identifier.issnl2352-8478-

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