Effects of Oxygen Vacancy on the Magnetic Properties of Ni-Doped SnO2 Nanoparticles
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We studied the ferromagnetism of Ni-doped SnO2 with and without oxygen vacancy (VO) by experiments and calculations. Sn0.96Ni0.04O2 nanocrystalline powder prepared by the sol-gel method exhibits room-temperature ferromagnetism, and the vacuum annealing reduces its saturation magnetizations. The density functional theory (DFT) calculations show that the doped Ni atom can introduce a local magnetic moment of about 2.0 μB in SnO2 (110) surface, which is ascribed to the spin-polarization of Ni 3d and O 2p electrons. The type of preferential magnetic coupling of Ni-doped SnO2 (110) surface depends upon the distributions of Ni dopants, and ferromagnetic coupling is more favorable in most cases. Introduction of VO obviously weakens the ferromagnetic interaction of Ni-doped SnO2 (110) surface, which can give a reasonable explanation for our experimental observations.
KeywordsDoped First-principle Magnetism Oxygen defects Sol-gel
This work was supported by the National Natural Science Foundation of China (Grant Nos. 11604234, 51602214, and 11404236), Special Funds of the National Natural Science Foundation of China (Grant No. 11447189), and the Natural Science Foundation of Shanxi Province (201801D221128).