Ferromagnetism and electronic structure in nitrogen-doped ZnO nanowire: First- principle calculation

摘要：

The nitrogen dopants can convert the nonmagnetic ZnO into a ferromagnet based on firstprinciple 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 Ub 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.

关键词： Nanowires Ferromagnetism First-principles

作者: Yuqiao Liao Hongkuan Yuan Anlong Kuang Bo Wu Yu Feng Zhonglin Liu Hong Chen

作者单位: School of Physical Science and Technology, Southwest University, Chongqing 400715, P. R. China

会议类型: 国际会议

会议名称: 2011 3nd International Conference on Mechanical and Electronics Engineering(2011年第三届机械与电子工程国际会议 ICMEE2011)

会议地点: 合肥

会议语种:英文

页码: 1435-1438

在线出版日期: 2011-09-23（万方平台首次上网日期，不代表论文的发表时间）