화학공학소재연구정보센터
Applied Surface Science, Vol.257, No.23, 10206-10210, 2011
Ferromagnetism induced by intrinsic defects and nitrogen substitution in SnO2 nanotube
The possibilities of magnetism induced by intrinsic defects and nitrogen substitution in (5,5) single-wall SnO2 nanotube are investigated by ab initio calculations. The calculated results indicate that a stoichiometric SnO2 nanotube is nonmagnetic. The tin (Sn) vacancy can induce the magnetic moments rather than oxygen vacancy, which is originated from the polarization of O 2p electrons. A couple of tin vacancies can lead to the ferromagnetic coupling. A nitrogen substitution for oxygen also produces magnetic moments. When substituting two nitrogen atoms, the characteristics of exchange coupling depend upon the distance of two nitrogen atoms. The longer distance of two nitrogen atoms prefers the ferromagnetic coupling, whereas the short distance leads to the antiferromagnetic coupling. (C) 2011 Elsevier B.V. All rights reserved.