Abstract
Edge effects on possible magnetism appearing in finite hydrogenated zigzagnanotubes are investigated using the DFT–LSDA calculations. Our result showsthat two types of edges, i.e. a mono-hydrogenated zigzag edge (MHZE) and adi-hydrogenated zigzag edge (DHZE), can give magnetic moments in finitenanotubes. Due to curvature of the tube, however, the total magnetic momentStot is smaller than an expected value given by a counting rule ofStot, which holds for magnetic nanographite ribbons. In addition tomagnetic nanotubes found by Okada and Oshiyama, we show that a(7,0) tubeand an (8,0) tube with both MHZE and DHZE are magnetic. The reactions to create hydrogenated(7,0) and (8,0) tubes are exothermic.
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