Atomic structure of defect complexes containing carbon and hydrogen in GaAs

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dc.contributor.authorLee, SGko
dc.contributor.authorChang, Kee-Jooko
dc.date.accessioned2013-02-27T15:18:37Z-
dc.date.available2013-02-27T15:18:37Z-
dc.date.created2012-02-06-
dc.date.created2012-02-06-
dc.date.issued1996-09-
dc.identifier.citationPHYSICAL REVIEW B, v.54, no.12, pp.8522 - 8526-
dc.identifier.issn0163-1829-
dc.identifier.urihttp://hdl.handle.net/10203/69295-
dc.description.abstractWe study the hydrogen passivation of carbon accepters and the stability of defect complexes containing carbon and hydrogen in GaAs through first-principles pseudopotential calculations. A carbon-hydrogen C-As(-)-(HCAs)(0) complex with two C-As atoms at second-neighbor As sites is found to be energetically more favorable than the isolated configuration of C-As(-) and H-C-As. We also find that a (H-C-As)(2) complex containing two H atoms is more stable than two isolated H-C-As pairs. Hydrogen dissociation from the C-As(-)-(HCAs)(0) center upon annealing leads to the formation of a C-As-C-As pair, and the C-As-C-As complex subsequently dissociates into two isolated C-As accepters. Here we propose a dissociation process that involves a C-C split-interstitial complex at an As site and a second-neighbor As vacancy, with an energy barrier of about 1.7 eV, which is similar to that for Zn diffusion.-
dc.languageEnglish-
dc.publisherAMERICAN PHYSICAL SOC-
dc.subjectMOLECULAR-BEAM EPITAXY-
dc.subjectP-TYPE GAAS-
dc.subjectDOPED GAAS-
dc.subjectDIFFUSION-
dc.subjectLAYERS-
dc.subjectPSEUDOPOTENTIALS-
dc.subjectCOMPENSATION-
dc.subjectPASSIVATION-
dc.subjectIMPURITY-
dc.subjectENERGIES-
dc.titleAtomic structure of defect complexes containing carbon and hydrogen in GaAs-
dc.typeArticle-
dc.identifier.wosidA1996VM97600045-
dc.identifier.scopusid2-s2.0-0642330311-
dc.type.rimsART-
dc.citation.volume54-
dc.citation.issue12-
dc.citation.beginningpage8522-
dc.citation.endingpage8526-
dc.citation.publicationnamePHYSICAL REVIEW B-
dc.contributor.localauthorChang, Kee-Joo-
dc.contributor.nonIdAuthorLee, SG-
dc.type.journalArticleArticle-
dc.subject.keywordPlusMOLECULAR-BEAM EPITAXY-
dc.subject.keywordPlusP-TYPE GAAS-
dc.subject.keywordPlusDOPED GAAS-
dc.subject.keywordPlusDIFFUSION-
dc.subject.keywordPlusLAYERS-
dc.subject.keywordPlusPSEUDOPOTENTIALS-
dc.subject.keywordPlusCOMPENSATION-
dc.subject.keywordPlusPASSIVATION-
dc.subject.keywordPlusIMPURITY-
dc.subject.keywordPlusENERGIES-
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