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High resistivity in undoped CdTe: carrier compensation of Te antisites and Cd vacancies
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
2016 (English)In: Journal of Physics D: Applied Physics, ISSN 0022-3727, E-ISSN 1361-6463, Vol. 49, no 3, 035101Article in journal (Refereed) Published
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Abstract [en]

In this paper, we focus on the high resistivity of intentionally undoped CdTe, where the most prevalent defects are Cd vacancies and Te antisites. Our calculated formation energies lead to the conclusion that the Fermi energy of undoped CdTe is at midgap due to carrier compensation of Te antisites and Cd vacancies, which explains the experimentally observed high resistivity. We use density functional theory with the hybrid functional of Heyd, Scuseria and Ernzerhof (HSE06) and show that the proper description of the native defects in general fails using the local density approximation (LDA) instead of HSE06. We conclude that LDA is insufficient to understand the high resistivity of undoped CdTe. We calculate the neutral and double acceptor state of the Te antisite to be intrinsic DX-centers.

Place, publisher, year, edition, pages
2016. Vol. 49, no 3, 035101
Keyword [en]
CdTe, Te antisite, Cd vacancy, defect formation energy
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URN: urn:nbn:se:uu:diva-276799DOI: 10.1088/0022-3727/49/3/035101ISI: 000368096300007OAI: oai:DiVA.org:uu-276799DiVA: diva2:903578
Available from: 2016-02-16 Created: 2016-02-16 Last updated: 2017-11-30Bibliographically approved

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Mirbt, SusanneSanyal, BiplabKlintenberg, Mattias

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