Theory of carbon complexes in aluminum arsenide

Document identifier: oai:DiVA.org:ltu-7774
Access full text here:10.1103/PhysRevB.49.5306
Keyword: Natural Sciences, Mathematics, Computational Mathematics, Naturvetenskap, Matematik, Beräkningsmatematik, Scientific Computing, Teknisk-vetenskapliga beräkningar
Publication year: 1994
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Abstract:

The structural and dynamic properties of carbon defects in aluminum arsenide are investigated using first-principles local-density-functional cluster theory. The method accounts satisfactorily for the structure and phonon modes of AlAs. The carbon acceptor and donor possess triplet modes in the band gap between the acoustic and optic branches as well as localized triplet modes. The local mode of the acceptor lies within 40 cm-1 of the observed mode. Four modes of a close-by acceptor pair lie within 40 cm-1 of the local mode of the isolated acceptor and this supports a previous assignment of four satellite lines seen in heavily doped material to this defect. The modes of a donor-acceptor pair are investigated but there is no evidence of their existence.

Authors

R Jones

University of Exeter
Other publications >>

Sven Öberg

Luleå tekniska universitet; Matematiska vetenskaper
Other publications >>

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        identifier: oai:DiVA.org:ltu-7774
        datestamp: 2021-04-19T12:21:47Z
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                version: 3.7
            recordInfo: 
                recordContentSource: ltu
                recordCreationDate: 2016-09-29
            identifier: 
                http://urn.kb.se/resolve?urn=urn:nbn:se:ltu:diva-7774
                10.1103/PhysRevB.49.5306
                2-s2.0-12844284889
                6318dad0-1abc-11dd-8c59-000ea68e967b
            titleInfo: 
                @attributes: 
                    lang: eng
                title: Theory of carbon complexes in aluminum arsenide
            abstract: 
The structural and dynamic properties of carbon defects in aluminum arsenide are investigated using first-principles local-density-functional cluster theory. The method accounts satisfactorily for the structure and phonon modes of AlAs. The carbon acceptor and donor possess triplet modes in the band gap between the acoustic and optic branches as well as localized triplet modes. The local mode of the acceptor lies within 40 cm-1 of the observed mode. Four modes of a close-by acceptor pair lie within 40 cm-1 of the local mode of the isolated acceptor and this supports a previous assignment of four satellite lines seen in heavily doped material to this defect. The modes of a donor-acceptor pair are investigated but there is no evidence of their existence.

            subject: 
                    @attributes: 
                        lang: eng
                        authority: uka.se
                    topic: 
                        Natural Sciences
                        Mathematics
                        Computational Mathematics
                    @attributes: 
                        lang: swe
                        authority: uka.se
                    topic: 
                        Naturvetenskap
                        Matematik
                        Beräkningsmatematik
                    @attributes: 
                        lang: eng
                        authority: ltu
                    topic: Scientific Computing
                    genre: Research subject
                    @attributes: 
                        lang: swe
                        authority: ltu
                    topic: Teknisk-vetenskapliga beräkningar
                    genre: Research subject
            language: 
                languageTerm: eng
            genre: 
                publication/journal-article
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            note: 
                Published
                2
                Godkänd; 1994; 20080505 (ysko)
            name: 
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                        type: personal
                    namePart: 
                        Jones
                        R
                    role: 
                        roleTerm: aut
                    affiliation: University of Exeter
                    @attributes: 
                        type: personal
                        authority: ltu
                    namePart: 
                        Öberg
                        Sven
                    role: 
                        roleTerm: aut
                    affiliation: 
                        Luleå tekniska universitet
                        Matematiska vetenskaper
                    nameIdentifier: 
                        oberg
                        0000-0002-0292-1159
            originInfo: 
                dateIssued: 1994
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                @attributes: 
                    type: host
                titleInfo: 
                    title: Physical Review B Condensed Matter
                identifier: 
                    0163-1829
                    1095-3795
                part: 
                    detail: 
                            @attributes: 
                                type: volume
                            number: 49
                            @attributes: 
                                type: issue
                            number: 8
                    extent: 
                        start: 5306
                        end: 5312
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                form: print
            typeOfResource: text