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Nitrogen-Hydrogen Defects in GaP
School of Physics, University of Exeter.
School of Physics, University of Exeter.
School of Physics, University of Exeter.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.ORCID iD: 0000-0003-0509-925X
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1998 (English)In: Physica status solidi. B, Basic research, ISSN 0370-1972, E-ISSN 1521-3951, Vol. 210, no 2, p. 321-326Article in journal (Refereed) Published
Abstract [en]

Models of the nitrogen-hydrogen defect in GaP, which contain one and two H atoms, are investigated using ab initio density functional cluster theory. We find that a single H atom binding to N possesses two infrared absorption frequencies close to those attributed to an NH2 defect. The modes shift with its charge state consistent with the photo-sensitivity found for the defect. A third mode observed for this centre is assumed to be an overtone of the bend mode. The isotope shifts of the calculated modes are in excellent agreement with experiment in contrast with the model which contains two H atoms

Place, publisher, year, edition, pages
1998. Vol. 210, no 2, p. 321-326
Keywords [en]
density functional theory, doping, infrared spectroscopy, semiconductors, III-V, phosphides, GaP, Natural sciences - Physics, Materials science - Functional materials
Keywords [sv]
Naturvetenskap - Fysik, Teknisk materialvetenskap - Funktionella material
National Category
Computational Mathematics
Research subject
Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-27161DOI: 10.1002/(SICI)1521-3951(199812)210:23.0.CO;2-GLocal ID: 07fb1570-1eab-11de-81ae-000ea68e967bOAI: oai:DiVA.org:ltu-27161DiVA, id: diva2:1000342
Conference
International Conference on Shallow-Level Centres in Semiconductors : 27/07/1998 - 30/07/1998
Note
Godkänd; 1998; 20090401 (andbra); Konferensartikel i tidskriftAvailable from: 2016-09-30 Created: 2016-09-30 Last updated: 2017-11-30Bibliographically approved

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Latham, Chris D.Öberg, Sven

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