Engineering the magnetic properties of the Mn13 cluster by doping
Name
Datta-2011-Engineering the magn.pdf
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Author(s)
Datta, Soumendu
Kabir, Mohammad Mukul
Mookerjee, Abhijit
Saha-Dasgupta, Tanusri
Date Issued
February 2011
Journal
Physical Review B
Publisher
American Physical Society
Citation
Datta, Soumendu et al. “Engineering the magnetic properties of the Mn_{13} cluster by doping.” Physical Review B 83 (2011). ©2011 American Physical Society.
Version
Final published version
Abstract
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.
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.83.075425
