| Literature DB >> 26490382 |
Mukesh Kumar Singh1, Neeraj Yadav1, Gopalan Rajaraman1.
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.Entities:
Year: 2015 PMID: 26490382 DOI: 10.1039/c5cc06642e
Source DB: PubMed Journal: Chem Commun (Camb) ISSN: 1359-7345 Impact factor: 6.222