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Record high magnetic exchange and magnetization blockade in Ln2@C79N (Ln = Gd(III) and Dy(III)) molecules: a
Mukesh Kumar Singh1, Neeraj Yadav1, Gopalan Rajaraman1
1Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai, Maharashtra, 400076-India. rajaraman@chem.iitb.ac.in.
Abstract:
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 Gd2@C79N. Calculations performed on the anisotropic Dy2@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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