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65956 |
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|a Datta, Soumendu
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|a Massachusetts Institute of Technology. Department of Materials Science and Engineering
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|a Kabir, Mohammad Mukul
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|a Kabir, Mohammad Mukul
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|a Kabir, Mohammad Mukul
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|a Mookerjee, Abhijit
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|a Saha-Dasgupta, Tanusri
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|a Engineering the magnetic properties of the Mn13 cluster by doping
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|b American Physical Society,
|c 2011-09-23T20:16:05Z.
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|z Get fulltext
|u http://hdl.handle.net/1721.1/65956
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|a 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.
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|a India. Dept. of Science and Technology
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|a en_US
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|a Article
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|t Physical Review B
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