Magnetic states of zigzag graphene nanoribbons from first principles

作者：Wu Fang; Kan Erjun; Xiang Hongjun; Wei Su Huai; Whangbo Myung Hwan^*; Yang Jinlong

来源：Applied Physics Letters, 2009, 94(22): 223105.

DOI：10.1063/1.3147854

• ab initio calculations
• carrier mobility
• density functional theory
• doping
• graphene
• magnetic moments
• nanostructured materials

The nature of the magnetic states of zigzag graphene nanoribbons (ZGNRs) was explored on the basis of density functional calculations to understand why they are apparently nonmagnetic. Our study shows that the magnetic moments of ZGNRs are destroyed by p-type or n-type carrier doping with similar to 10(13) carriers/cm(2) per ribbon, which is close to the amount of unpaired spins that ZGNRs are expected to have. Thus the extrinsic sources of carrier doping should be removed to observe the expected magnetic character of ZGNRs.

• 出版日期2009-6-1
• 单位中国科学技术大学; 南京林业大学