We identify Stoner ferromagnetism in fcc C60Hn (n=odd) by using a local density approximation in the framework of the density functional theory. Hydrogen chemisorption on fullerenes creates quasilocalized π electrons on the fullerene surface, overlapping of their wave functions giving rise to a narrow half filled impurity band in the fcc C 60Hn. The Stoner-type ferromagnetic exchange between the itinerant electrons leads to spin-split impurity bands. The magnetic moment per C60Hn molecule is 1μB (for n=odd) or 0 (for n=even, including zero), only one of the hydrogens contributing to the spin-split states. Direct overlapping of the quasilocalized π-electron orbitals is essential for the ferromagnetism.
ASJC Scopus subject areas
- Physics and Astronomy(all)