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Intrinsic defect complexes in CdTe and ZnTe
Ceramics Laboratory, Swiss Federal Institute of Technology (EPFL), Lausanne.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.ORCID iD: 0000-0002-0292-1159
School of Natural Science, University of Newcastle upon Tyne.
2011 (English)In: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 519, no 21, p. 7468-7471Article in journal (Refereed) Published
Abstract [en]

Radiation defects in CdTe and ZnTe are modeled from first principles. The most important intrinsic defects resulting from cation evaporation or displacement are cation vacancies and tellurium anti-sites, electrically active defects characterized by a low formation energy. The reactions between those two defects are investigated. Since cation vacancy clusters of less than four vacancies are not stable, it is argued that cation vacancy aggregation is not a dominant process in near-equilibrium conditions. In-grown or radiation-induced clusters of four cation vacancies may serve as a nucleation center for tellurium precipitation. The formation energy of these small voids is lower in ZnTe than in CdTe. Additionally, cation-anion divacancies are stable in ZnTe and in p-type CdTe.

Place, publisher, year, edition, pages
2011. Vol. 519, no 21, p. 7468-7471
Keywords [en]
Mathematics
Keywords [sv]
Matematik
National Category
Computational Mathematics
Research subject
Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-7373DOI: 10.1016/j.tsf.2010.12.128ISI: 000295347700080Scopus ID: 2-s2.0-80052154493Local ID: 5bf47b20-38ea-4a31-aefa-e0c507071ad3OAI: oai:DiVA.org:ltu-7373DiVA, id: diva2:980262
Note
Validerad; 2011; 20101223 (ysko)Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2018-07-10Bibliographically approved

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Öberg, Sven

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