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Unusual structure and magnetism in manganese oxide nanoclusters
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
2011 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 83, no 2, 020411- p.Article in journal (Refereed) Published
Abstract [en]

We report an unusual evolution of structure and magnetism in stoichiometric MnO clusters based on an extensive and unbiased search through the potential-energy surface within density functional theory. The smaller clusters, containing up to five MnO units, adopt two-dimensional structures; and regardless of the size of the cluster, magnetic coupling is found to be antiferromagnetic in contrast to previous theoretical findings. Predicted structure and magnetism are strikingly different from the magnetic core of Mn-based molecular magnets, whereas, they were previously argued to be similar. Both of these features are explained through the inherent electronic structures of the clusters.

Place, publisher, year, edition, pages
2011. Vol. 83, no 2, 020411- p.
National Category
Physical Sciences
URN: urn:nbn:se:uu:diva-148484DOI: 10.1103/PhysRevB.83.020411ISI: 000286755100001OAI: oai:DiVA.org:uu-148484DiVA: diva2:402251
Available from: 2011-03-07 Created: 2011-03-07 Last updated: 2012-03-28Bibliographically approved

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Sanyal, Biplab
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