Journal
PHYSICAL REVIEW LETTERS
Volume 106, Issue 16, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.106.166402
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Funding
- National Research Foundation of Korea [R0A-2008-000-20066-0]
- National Research Foundation of Korea [R0A-2008-000-20066-0] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
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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 quasi-localized pi electrons on the fullerene surface, overlapping of their wave functions giving rise to a narrow half filled impurity band in the fcc C60Hn. The Stoner-type ferromagnetic exchange between the itinerant electrons leads to spin-split impurity bands. The magnetic moment per C60Hn molecule is 1 mu(B) (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 pi-electron orbitals is essential for the ferromagnetism.
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