Bandgap opening/closing of graphene antidot lattices with zigzag-edged hexagonal holes
文献情報
Shenglin Peng, Zhixiong Yang, Yu Chen, Hui Zou, Xiang Xiong
How to predict the bandgap size of graphene antidot lattices (GALs) is a key problem in the field of graphene-based nanoelectronics. Here, we have obtained the universal rules on bandgap opening/closing of GALs with zigzag-edged hexagonal holes (ZH-GALs), as well as the means to control the bandgap size. In the simple case that the electronic property depends on the choice of the supercell, the quantitative relationship between Eg and the density/diameter of antidots is fitted. Turning to complex structures, we reveal that the bandgap opening in ZH-GALs results mainly from the intervalley scattering. In this interpretation, according to their relative position, the antidots can be divided into three categories. A relatively large bandgap appears in ZH-GALs, only when the numbers of the three categories are unequal. This could be explained based on a mechanism similar to diffraction. A formula according to the explanation is provided to estimate the bandgap, which can be used to predict the electronic properties of GALs and guide the design of semiconductor and photoelectronic devices based on GALs.
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Main Group Chemistry

Journal of the Indian Institute of Science

Heteroatom Chemistry

Chinese Journal of Chemistry

Journal of Asian Natural Products Research

Medicinal Chemistry Research

Journal of Chemical Sciences

Herald of the Russian Academy of Sciences

Biocatalysis and Biotransformation

Acta Metallurgica Sinica-English Letters
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