Band gap of graphene nanoribbons calculated using Huckel molecular orbital theory

Peiyun Ni

In this paper, a new model based on Huckel molecular orbital theory is developed and used to calculate the band gap of graphene nanoribbons, which are stripes of etched graphene. Band gaps of graphene nanoribbons with different edge structures and widths are calculated to reveal physical properties. The proposed model well captures the band gap characteristics of graphene nanoribbons without intensive calculations. The understanding of the band gap properties of grapheme nanoribbons allows for various electronic and photonic applications.