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Electronic structure and chemical and magnetic interactions in ZnO doped with Co and Al: Experiments and ab initio density-functional calculations
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science.
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2008 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 78, no 8, 085319- p.Article in journal (Refereed) Published
Abstract [en]

We present results of electronic structure and magnetization measurements of Co:ZnO and Co:ZnO codoped with Al thin-film samples fabricated by solution-based methods together with ab initio electronic structure calculations. Electronic structure measurements indicate that the Co states lie close to the valence-band edge with pinning of the Fermi level primarily due to native defects yielding a heavily n-doped material. The findings in the electronic structure measurements are corroborated by results from theoretical calculations. We find that it is necessary to go beyond the local-density approximation to achieve agreement with experiments. Moreover, the theoretical calculations indicate a tendency for the formation of Co clusters, giving rise to an antiferromagnetic exchange interaction between the Co atoms. The magnetization measurements are well in line with the theoretical predictions, showing a dominating superparamagnetic behavior arising from small antiferromagnetic clusters containing uncompensated spins.

Place, publisher, year, edition, pages
2008. Vol. 78, no 8, 085319- p.
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Physical Sciences Engineering and Technology
Identifiers
URN: urn:nbn:se:uu:diva-226102OAI: oai:DiVA.org:uu-226102DiVA: diva2:723880
Available from: 2014-06-11 Created: 2014-06-11 Last updated: 2017-12-05

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Knut, RonnySanyal, BiplabKaris, OlofEriksson, OlleWikberg, J. MagnusSvedlindh, Peter

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Physical Review B. Condensed Matter and Materials Physics
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