Ferromagnetism and Electronic Structure in Nitrogen-Doped ZnO Nanowire: First-Principle Calculation

Abstract:

The nitrogen dopants can convert the nonmagnetic ZnO into a ferromagnet based on first-principle calculations. The formation of oxygen substituted with nitrogen on the surface is much easier than that inside nanowire. Calculation results indicate per N dopant can produce a total moment of 1.00 u_B in the nitrogen-doped ZnO, the magnetic moments mainly come from the unpaired 2p orbit split of N atom. Our theoretical study not only demonstrates the ZnO nanowire can be magnetic even without transition-metal doping, but also suggests that introducing N dopant is an effective way to fabricate low-dimensional magnetic ZnO nanostrucres.

• Periodical: Applied Mechanics and Materials (Volumes 130-134)
• Pages: 1435-1438
• DOI: https://doi.org/10.4028/www.scientific.net/AMM.130-134.1435
• Online since: October 2011
• Authors: Yu Qiao Liao, Hong Kuan Yuan, An Long Kuang, Bo Wu, Yu Feng, Zhong Lin Liu, Hong Chen
• Keywords: Ferromagnetism, First-Principle, Nanowire

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