Unusual structure and magnetism in manganese oxide nanoclusters
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 regar...
| Main Authors: | , , , |
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
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American Physical Society
2011
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| Online Access: | http://hdl.handle.net/1721.1/63154 https://orcid.org/0000-0002-3230-280X |
| _version_ | 1826205773410074624 |
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| author | Ganguly, Shreemoyee Kabir, Mohammad Mukul Sanyal, Biplab Mookerjee, Abhijit |
| author2 | Massachusetts Institute of Technology. Department of Materials Science and Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Materials Science and Engineering Ganguly, Shreemoyee Kabir, Mohammad Mukul Sanyal, Biplab Mookerjee, Abhijit |
| author_sort | Ganguly, Shreemoyee |
| collection | MIT |
| description | 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. |
| first_indexed | 2024-09-23T13:18:52Z |
| format | Article |
| id | mit-1721.1/63154 |
| institution | Massachusetts Institute of Technology |
| language | en_US |
| last_indexed | 2024-09-23T13:18:52Z |
| publishDate | 2011 |
| publisher | American Physical Society |
| record_format | dspace |
| spelling | mit-1721.1/631542022-09-28T13:19:52Z Unusual structure and magnetism in manganese oxide nanoclusters Ganguly, Shreemoyee Kabir, Mohammad Mukul Sanyal, Biplab Mookerjee, Abhijit Massachusetts Institute of Technology. Department of Materials Science and Engineering Kabir, Mohammad Mukul Kabir, Mohammad Mukul 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. Swedish Research Council Swedish International Development Cooperation Agency 2011-05-31T20:39:32Z 2011-05-31T20:39:32Z 2011-01 2010-12 Article http://purl.org/eprint/type/JournalArticle 1098-0121 1550-235X http://hdl.handle.net/1721.1/63154 Ganguly, Shreemoyee et al. "Unusual structure and magnetism in manganese oxide nanoclusters." Phys Rev B. 83.2 020411 ©2011 American Physical Society. https://orcid.org/0000-0002-3230-280X en_US http://dx.doi.org/10.1103/PhysRevB.83.020411 Physical Review B 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. application/pdf American Physical Society APS |
| spellingShingle | Ganguly, Shreemoyee Kabir, Mohammad Mukul Sanyal, Biplab Mookerjee, Abhijit Unusual structure and magnetism in manganese oxide nanoclusters |
| title | Unusual structure and magnetism in manganese oxide nanoclusters |
| title_full | Unusual structure and magnetism in manganese oxide nanoclusters |
| title_fullStr | Unusual structure and magnetism in manganese oxide nanoclusters |
| title_full_unstemmed | Unusual structure and magnetism in manganese oxide nanoclusters |
| title_short | Unusual structure and magnetism in manganese oxide nanoclusters |
| title_sort | unusual structure and magnetism in manganese oxide nanoclusters |
| url | http://hdl.handle.net/1721.1/63154 https://orcid.org/0000-0002-3230-280X |
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