Magnetic molecules made of nitrogen or boron-doped fullerenes

Chih Kai Yang*

*Corresponding author for this work

Research output: Contribution to journalJournal Article peer-review

15 Scopus citations


By using density functional theory, we investigate the electronic structure of a fullerene C60 molecule doped with a nitrogen atom on its surface. We find that the impurity is strongly bonded to the carbon cage and the C60 N molecule has a large magnetic moment of 3.00 μB. We also study the adsorption of a boron atom on the fullerene. The bonding is not as strong but still provides a fairly stable structure. Most importantly, the C60 B molecule possesses a magnetic moment of 0.99 μB. Both molecular magnets should be useful for the application in magnetic detection, quantum information, and spintronics.

Original languageEnglish
Article number033103
JournalApplied Physics Letters
Issue number3
StatePublished - 2008


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