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Electronic structur...
Electronic structure and chemical and magnetic interactions in ZnO doped with Co and Al : Experiments and ab initio density-functional calculations
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- Iusan, Diana (author)
- Uppsala universitet,Institutionen för fysik och materialvetenskap
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- Knut, Ronny (author)
- Uppsala universitet,Molekyl- och kondenserade materiens fysik,Institutionen för fysik och materialvetenskap
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- Sanyal, Biplab (author)
- Uppsala universitet,Institutionen för fysik och materialvetenskap
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- Karis, Olof (author)
- Uppsala universitet,Molekyl- och kondenserade materiens fysik,Institutionen för fysik och materialvetenskap
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- Eriksson, Olle (author)
- Uppsala universitet,Institutionen för fysik och materialvetenskap
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- Coleman, Victoria A. (author)
- Uppsala universitet,Institutionen för materialkemi
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- Westin, Gunnar (author)
- Uppsala universitet,Institutionen för materialkemi
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- Wikberg, J. Magnus (author)
- Uppsala universitet,Fasta tillståndets fysik
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- Svedlindh, Peter (author)
- Uppsala universitet,Fasta tillståndets fysik
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(creator_code:org_t)
- 2008
- 2008
- English.
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In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 78:8, s. 085319-
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https://doi.org/10.1...
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Abstract
Subject headings
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- 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.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Keyword
- Physics
- Fysik
Publication and Content Type
- ref (subject category)
- art (subject category)
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