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Role of O and Se defects in the thermoelectric properties of bismuth oxide selenide

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dc.contributor.authorQuang Van Tran-
dc.contributor.authorKim, Miyoung-
dc.date.available2021-02-22T11:23:56Z-
dc.date.created2020-09-03-
dc.date.issued2016-11-
dc.identifier.issn0021-8979-
dc.identifier.urihttps://scholarworks.sookmyung.ac.kr/handle/2020.sw.sookmyung/9368-
dc.description.abstractBismuth oxygen selenide, Bi2O2Se, is a promising thermoelectric material because of its reduced thermal conductivity. In this study, we perform the first-principles calculation and utilize the solution of Boltzmann transport equation in a constant relaxation-time approximation to compute the electronic and thermoelectric properties of Bi2O2Se with O and Se defects. Oxygen vacancies trap bands located inside the band gap of Bi2O2Se, and the compound becomes a conductor. These bands lead to drastic reduction in the Seebeck coefficient. When vacancies are filled by selenide atoms (selenide point defect), the materials return to be a semiconductor and the Seebeck coefficient increases. The increase of S is also found in the system with defects formed by the substitution of oxygen atoms into selenide sites (oxygen point defect) in the pristine compound. The power factor significantly increases during p-type doping compared with that during n-type doping for the selenide point defect. However, differences in the two doping cases are less distinguished for the oxygen point defect. Hence, the selenide point defect, Bi2O2-delta Se1-delta with p-type doping, is an effective way to increase the power factor and eventually the thermoelectric efficiency of Bi2O2Se. Published by AIP Publishing.-
dc.language영어-
dc.language.isoen-
dc.publisherAMER INST PHYSICS-
dc.titleRole of O and Se defects in the thermoelectric properties of bismuth oxide selenide-
dc.typeArticle-
dc.contributor.affiliatedAuthorKim, Miyoung-
dc.identifier.doi10.1063/1.4967989-
dc.identifier.scopusid2-s2.0-84999039998-
dc.identifier.wosid000388958200028-
dc.identifier.bibliographicCitationJOURNAL OF APPLIED PHYSICS, v.120, no.19-
dc.relation.isPartOfJOURNAL OF APPLIED PHYSICS-
dc.citation.titleJOURNAL OF APPLIED PHYSICS-
dc.citation.volume120-
dc.citation.number19-
dc.type.rimsART-
dc.type.docTypeArticle-
dc.description.journalClass1-
dc.description.isOpenAccessN-
dc.description.journalRegisteredClassscie-
dc.description.journalRegisteredClassscopus-
dc.relation.journalResearchAreaPhysics-
dc.relation.journalWebOfScienceCategoryPhysics, Applied-
dc.subject.keywordPlusPLANE-WAVE METHOD-
dc.identifier.urlhttps://aip.scitation.org/doi/10.1063/1.4967989-
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