• 文献标题:   The effect of edges and shapes on band gap energy in graphene quantum dots
  • 文献类型:   Article
  • 作  者:   KITTIRATANAWASIN L, HANNONGBUA S
  • 作者关键词:   tight binding, graphene, quantum dot, band gap
  • 出版物名称:   INTEGRATED FERROELECTRICS
  • ISSN:   1058-4587 EI 1607-8489
  • 通讯作者地址:   Kasetsart Univ
  • 被引频次:   5
  • DOI:   10.1080/10584587.2016.1204893
  • 出版年:   2016

▎ 摘  要

We perform a theoretical study of the structural properties of graphene quantum dots (GQD) by means of atomistic tight-binding theory. The calculations consist of the single-particle spectra and band gaps as a function of the sizes. The computations highlight that the resulting calculations of band gap are mainly sensitive with the shapes and type of edges of GQD. The band gaps from tight-binding model are quite consistent with the other theoretical data. The same shapes of GQD can have different band gaps if they have different edge types. The lower band gap is observed on rectangular GQD compared with parallelogram GQD.