期刊
ACS NANO
卷 5, 期 5, 页码 4023-4030出版社
AMER CHEMICAL SOC
DOI: 10.1021/nn200580w
关键词
graphene; antidot lattices; bandgap; electronic structure; first-principles calculations; tight-binding model
类别
资金
- National Natural Science Foundation of China [20973013, 51072004]
- Ministry of Science and Technology of China [2007CB936203, 2011CB933003]
- China Postdoctoral Science Foundation [20090460145, 201003009]
- Fundamental Research Funds for the Central Universities
The electronic structure of graphene antidot lattices (GALs) with zigzag hole edges was studied with first-principles calculations. It was revealed that half of the possible GAL patterns were unintentionally missed in the usual construction models used in earlier studies. With the complete models, the bandgap of the GALs was sensitive to the width W of the wall between the neighboring holes. A nonzero bandgap was opened in hexagonal GALs with even W, while the bandgap remained closed in those with odd W. Similar alternating gap opening/closing with W was also demonstrated in rhombohedral GALs. Moreover, analytical solutions of single-walled GALs were derived based on a tight-binding model to determine the location of the Dirac points and the energy dispersion, which confirmed the unique effect in GALs.
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