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Article: Identification of charge states of indium vacancies in InP using the positron-electron auto-correlation function

TitleIdentification of charge states of indium vacancies in InP using the positron-electron auto-correlation function
Authors
Issue Date1998
PublisherInstitute of Physics Publishing. The Journal's web site is located at http://www.iop.org/Journals/jpcm
Citation
Journal Of Physics Condensed Matter, 1998, v. 10 n. 41, p. 9263-9271 How to Cite?
AbstractThe positron-electron auto-correlation function (ACF) is calculated for neutral and negatively charged indium vacancies in InP as well as a perfect InP material. Ab initio calculations are performed for the electron wave functions in the density functional theory (DFT) with the local density approximation (LDA) for the exchange-correlation potential of electrons. The positron wave function is calculated by directly diagonalizing the single-particle Hamiltonian of the positron in the LDA with a density-gradient correction. It is found that the ACF is suitable for identifying the charge states of the indium vacancies. Neutral indium vacancies greatly diminish the nearest peaks and dips (P1 and D1) of the ACF which are located after the nearest-neighbouring lattice points in the case of a perfect material. Negatively charged indium vacancies nearly eliminate these peaks and dips, together with the next-nearest peaks (P2) located at the next-nearest-neighbouring lattice points. Therefore, the diminution of the P1 and D1 can be taken as an indication of the formation of neutral indium vacancies, and that of the P2 can be taken as an indication of the formation of negatively charged indium vacancies. However, the three negative charge states of the indium vacancies (V In 1-, V In 2- and V In 3-) are still difficult to distinguish from each other by means of the ACF method.
Persistent Identifierhttp://hdl.handle.net/10722/80980
ISSN
2015 Impact Factor: 2.209
2015 SCImago Journal Rankings: 0.812
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorLiming, Wen_HK
dc.contributor.authorFung, Sen_HK
dc.contributor.authorBeling, CDen_HK
dc.contributor.authorFuchs, Men_HK
dc.contributor.authorSeitsonen, APen_HK
dc.date.accessioned2010-09-06T08:12:25Z-
dc.date.available2010-09-06T08:12:25Z-
dc.date.issued1998en_HK
dc.identifier.citationJournal Of Physics Condensed Matter, 1998, v. 10 n. 41, p. 9263-9271en_HK
dc.identifier.issn0953-8984en_HK
dc.identifier.urihttp://hdl.handle.net/10722/80980-
dc.description.abstractThe positron-electron auto-correlation function (ACF) is calculated for neutral and negatively charged indium vacancies in InP as well as a perfect InP material. Ab initio calculations are performed for the electron wave functions in the density functional theory (DFT) with the local density approximation (LDA) for the exchange-correlation potential of electrons. The positron wave function is calculated by directly diagonalizing the single-particle Hamiltonian of the positron in the LDA with a density-gradient correction. It is found that the ACF is suitable for identifying the charge states of the indium vacancies. Neutral indium vacancies greatly diminish the nearest peaks and dips (P1 and D1) of the ACF which are located after the nearest-neighbouring lattice points in the case of a perfect material. Negatively charged indium vacancies nearly eliminate these peaks and dips, together with the next-nearest peaks (P2) located at the next-nearest-neighbouring lattice points. Therefore, the diminution of the P1 and D1 can be taken as an indication of the formation of neutral indium vacancies, and that of the P2 can be taken as an indication of the formation of negatively charged indium vacancies. However, the three negative charge states of the indium vacancies (V In 1-, V In 2- and V In 3-) are still difficult to distinguish from each other by means of the ACF method.en_HK
dc.languageengen_HK
dc.publisherInstitute of Physics Publishing. The Journal's web site is located at http://www.iop.org/Journals/jpcmen_HK
dc.relation.ispartofJournal of Physics Condensed Matteren_HK
dc.titleIdentification of charge states of indium vacancies in InP using the positron-electron auto-correlation functionen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0953-8984&volume=10&spage=9263&epage=9271&date=1998&atitle=Identification+of+Charge+States+of+Indium+Vacancies+in+InP+Using+the+Positron-Electron+Auto-Correlation+Functionen_HK
dc.identifier.emailFung, S: sfung@hku.hken_HK
dc.identifier.emailBeling, CD: cdbeling@hkucc.hku.hken_HK
dc.identifier.authorityFung, S=rp00695en_HK
dc.identifier.authorityBeling, CD=rp00660en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1088/0953-8984/10/41/008en_HK
dc.identifier.scopuseid_2-s2.0-11744297028en_HK
dc.identifier.hkuros38877en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-11744297028&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume10en_HK
dc.identifier.issue41en_HK
dc.identifier.spage9263en_HK
dc.identifier.epage9271en_HK
dc.identifier.isiWOS:000076596500008-
dc.publisher.placeUnited Kingdomen_HK
dc.identifier.scopusauthoridLiming, W=24401511900en_HK
dc.identifier.scopusauthoridFung, S=7201970040en_HK
dc.identifier.scopusauthoridBeling, CD=7005864180en_HK
dc.identifier.scopusauthoridFuchs, M=7201630932en_HK
dc.identifier.scopusauthoridSeitsonen, AP=7004093445en_HK

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