Unusual structure and magnetism in manganese oxide nanoclusters
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Ganguly-2011-Unusual structure an.pdf
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Author(s)
Ganguly, Shreemoyee
Kabir, Mohammad Mukul
Sanyal, Biplab
Mookerjee, Abhijit
Date Issued
January 2011
Journal
Physical Review B
Publisher
American Physical Society
Citation
Ganguly, Shreemoyee et al. "Unusual structure and magnetism in manganese oxide nanoclusters." Phys Rev B. 83.2 020411 ©2011 American Physical Society.
Version
Final published version
Abstract
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.
MIT Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
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Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
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DOI of Published Version
https://doi.org/10.1103/PhysRevB.83.020411
