Engineering the magnetic properties of the Mn13 cluster by doping
With a goal to produce a giant magnetic moment in a Mn13 cluster that will be useful for practical applications, we have considered the structure and magnetic properties of a pure Mn13 cluster and substitutionally doped it with X=Ti, V, Cr, Fe, Co, Ni atom respectively to produce Mn12X clusters. We...
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| Format: | Article |
| Language: | en_US |
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American Physical Society
2011
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| Online Access: | http://hdl.handle.net/1721.1/65956 https://orcid.org/0000-0002-3230-280X |
| _version_ | 1811079891414679552 |
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| author | Datta, Soumendu Kabir, Mohammad Mukul Mookerjee, Abhijit Saha-Dasgupta, Tanusri |
| author2 | Massachusetts Institute of Technology. Department of Materials Science and Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Materials Science and Engineering Datta, Soumendu Kabir, Mohammad Mukul Mookerjee, Abhijit Saha-Dasgupta, Tanusri |
| author_sort | Datta, Soumendu |
| collection | MIT |
| description | With a goal to produce a giant magnetic moment in a Mn13 cluster that will be useful for practical applications, we have considered the structure and magnetic properties of a pure Mn13 cluster and substitutionally doped it with X=Ti, V, Cr, Fe, Co, Ni atom respectively to produce Mn12X clusters. We find that Ti and V substitutions in a Mn13 cluster are the most promising in terms of gaining substantial binding energy as well as achieving a higher magnetic moment through ferromagnetic alignment of the atom-centered magnetic moments. This has been demonstrated in terms of energetics and electronic properties of the clusters. For comparison, we have also studied the effect of N capping of Mn13 cluster, predicted in an earlier work [ Phys. Rev. Lett. 89 185504 (2002)], as a means of producing stable giant magnetic moments in Mn clusters up to cluster sizes of five Mn atoms. |
| first_indexed | 2024-09-23T11:22:13Z |
| format | Article |
| id | mit-1721.1/65956 |
| institution | Massachusetts Institute of Technology |
| language | en_US |
| last_indexed | 2024-09-23T11:22:13Z |
| publishDate | 2011 |
| publisher | American Physical Society |
| record_format | dspace |
| spelling | mit-1721.1/659562022-09-27T19:03:59Z Engineering the magnetic properties of the Mn13 cluster by doping Datta, Soumendu Kabir, Mohammad Mukul Mookerjee, Abhijit Saha-Dasgupta, Tanusri Massachusetts Institute of Technology. Department of Materials Science and Engineering Kabir, Mohammad Mukul Kabir, Mohammad Mukul With a goal to produce a giant magnetic moment in a Mn13 cluster that will be useful for practical applications, we have considered the structure and magnetic properties of a pure Mn13 cluster and substitutionally doped it with X=Ti, V, Cr, Fe, Co, Ni atom respectively to produce Mn12X clusters. We find that Ti and V substitutions in a Mn13 cluster are the most promising in terms of gaining substantial binding energy as well as achieving a higher magnetic moment through ferromagnetic alignment of the atom-centered magnetic moments. This has been demonstrated in terms of energetics and electronic properties of the clusters. For comparison, we have also studied the effect of N capping of Mn13 cluster, predicted in an earlier work [ Phys. Rev. Lett. 89 185504 (2002)], as a means of producing stable giant magnetic moments in Mn clusters up to cluster sizes of five Mn atoms. India. Dept. of Science and Technology 2011-09-23T20:16:05Z 2011-09-23T20:16:05Z 2011-02 2011-01 Article http://purl.org/eprint/type/JournalArticle 1098-0121 1550-235X http://hdl.handle.net/1721.1/65956 Datta, Soumendu et al. “Engineering the magnetic properties of the Mn_{13} cluster by doping.” Physical Review B 83 (2011). ©2011 American Physical Society. https://orcid.org/0000-0002-3230-280X en_US http://dx.doi.org/10.1103/PhysRevB.83.075425 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 | Datta, Soumendu Kabir, Mohammad Mukul Mookerjee, Abhijit Saha-Dasgupta, Tanusri Engineering the magnetic properties of the Mn13 cluster by doping |
| title | Engineering the magnetic properties of the Mn13 cluster by doping |
| title_full | Engineering the magnetic properties of the Mn13 cluster by doping |
| title_fullStr | Engineering the magnetic properties of the Mn13 cluster by doping |
| title_full_unstemmed | Engineering the magnetic properties of the Mn13 cluster by doping |
| title_short | Engineering the magnetic properties of the Mn13 cluster by doping |
| title_sort | engineering the magnetic properties of the mn13 cluster by doping |
| url | http://hdl.handle.net/1721.1/65956 https://orcid.org/0000-0002-3230-280X |
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