Journal
CHEMICAL COMMUNICATIONS
Volume 51, Issue 100, Pages 17732-17735Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5cc06642e
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Funding
- DST [EMR/2014/000247]
- INSA
- DST Nanomission
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Ab initio and DFT calculations reveal a very strong ferromagnetic exchange of the order of 200 cm(-1) in an endohedral radical hetero-metallo- fullerene molecule Gd-2@C79N. Calculations performed on the anisotropic Dy-2@C79N molecule reveal that very strong Dy-radical exchange not only quenches the QTM effects but also immensely enhances the barrier height for magnetization reversal.
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