Ni endohedral-doped C60 with duality of magnetic moments

Li, J. L.; Yang, G. W.
June 2010
Applied Physics Letters;6/7/2010, Vol. 96 Issue 23, p233103
Academic Journal
We have performed the magnetic properties of Ni endohedral-doped C60 (Ni@C60) by the spin-polarized density functional calculations, and showed that there are three stable configurations depending on different sites of the doped Ni atoms. Due to the high hybridization and confinement effects, the magnetic moment of the Ni-encapsulated metallofullerenes has duality, i.e., altering between 2.02μB and zero, by positioning the Ni atom in the hollow cage of C60. These findings of the alternative magnetic moments of the Ni-encapsulated C60 implied that Ni@C60 could be expected to be promising as a single molecular magnetic switch.


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