Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1409496 | Journal of Molecular Structure | 2011 | 4 Pages |
Abstract
Using the first-principles calculations, we investigate the structural and electronic properties of the armchair silicene nanoribbons (ASiNRs) with a monovacancy or a divacancy. We find that either a monovacancy or a parallel oriented divacancy changes a direct semiconductor ASiNR to an indirect one, while a slanting oriented divacancy changes it to a metallic character. However, neither a monovacancy nor a divacancy can change the nonmagnetic character of the ASiNR even the metallic ASiNR with a slanting oriented divacancy. Furthermore, the optimized vacancy structure and the electronic properties are independent of the vacancy positions relative to the edge of the nanoribbon.
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Yu-Ling Song, Yan Zhang, Jian-Min Zhang, Dao-Bang Lu, Ke-Wei Xu,