著者

Cuong Nguyen Thanh Otani Minoru Okada Susumu

出版者

American Physical Society

雑誌

Physical review B (ISSN:10980121)

巻号頁・発行日

vol.87, no.4, pp.045424, 2013

被引用文献数

14 3

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Based on first-principles total-energy calculations, we studied the energetics and electronic structure of zigzag graphene nanoribbons with nanometer-scale corners. We found that the formation energy of a short zigzag edge with a 120∘ corner is substantially smaller than that of a straight zigzag edge with an infinite length. We also found that zigzag graphene ribbons with 120∘ corners are semiconductors for which the band-gap decreases with increasing length between adjacent corners. The edge state is absent for zigzag graphene ribbons with short corner-corner distances, while the edge state emerges for zigzag ribbons that have a corner-corner distance greater than 1.5 nm. The remarkable stability of the 120∘ corner of the short zigzag edges is in good agreement with the experimental observation of such corners of graphene edges.