科研之友
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摘要
We apply the first-principles method to investigate the electronic and structural properties NC3 nanoribbons. The calculation results show that the stability does not depend on the ribbon width but depends on the edge type, where armchair structures are the more stable ones. The present nanostructures always have a metallic behavior. Such feature is connected with the spatial arrangement of N and C atoms, where the conducting behavior is associated to the contribution of p (z) -like orbitals of carbon atoms and the presence of a carbon stripe. In addition, no net magnetization is observed for the calculated structures.
- 出版日期2011-7
