Microscopic structure of hydrogen impurity in LiNbO3

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dc.contributor.authorNahm, Ho Hyunko
dc.contributor.authorPark, CHko
dc.date.accessioned2017-12-19T03:12:35Z-
dc.date.available2017-12-19T03:12:35Z-
dc.date.created2017-12-08-
dc.date.created2017-12-08-
dc.date.issued2001-06-
dc.identifier.citationAPPLIED PHYSICS LETTERS, v.78, no.24, pp.3812 - 3814-
dc.identifier.issn0003-6951-
dc.identifier.urihttp://hdl.handle.net/10203/228704-
dc.description.abstractWe investigate the microscopic structures of interstitial and substitutional hydrogen impurities in LiNbO3 through the first-principles pseudopotential total-energy calculations. The interstitial hydrogen is located between two O atoms and bonds to one of the oxygen atoms. The hydrogen impurity substituting Li is significantly displaced from the Li-site and strongly bonds to an oxygen atom and is located on a biaxial axis of an O triangle. We discuss the effect of hydrogen to the ferroelectric polarization and the energetics for the trap of the interstitial hydrogen at a Li vacancy. (C) 2001 American Institute of Physics.-
dc.languageEnglish-
dc.publisherAMER INST PHYSICS-
dc.subjectLITHIUM-NIOBATE-
dc.subjectWAVE-GUIDES-
dc.subjectNONLINEAR-INTERACTIONS-
dc.subjectPROTON-EXCHANGE-
dc.subjectPSEUDOPOTENTIALS-
dc.subjectCRYSTALS-
dc.subjectABSORPTION-
dc.subjectLITAO3-
dc.subjectBAND-
dc.titleMicroscopic structure of hydrogen impurity in LiNbO3-
dc.typeArticle-
dc.identifier.wosid000169226200016-
dc.type.rimsART-
dc.citation.volume78-
dc.citation.issue24-
dc.citation.beginningpage3812-
dc.citation.endingpage3814-
dc.citation.publicationnameAPPLIED PHYSICS LETTERS-
dc.identifier.doi10.1063/1.1376667-
dc.contributor.localauthorNahm, Ho Hyun-
dc.contributor.nonIdAuthorPark, CH-
dc.description.isOpenAccessN-
dc.type.journalArticleArticle-
dc.subject.keywordPlusLITHIUM-NIOBATE-
dc.subject.keywordPlusWAVE-GUIDES-
dc.subject.keywordPlusNONLINEAR-INTERACTIONS-
dc.subject.keywordPlusPROTON-EXCHANGE-
dc.subject.keywordPlusPSEUDOPOTENTIALS-
dc.subject.keywordPlusCRYSTALS-
dc.subject.keywordPlusABSORPTION-
dc.subject.keywordPlusLITAO3-
dc.subject.keywordPlusBAND-
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