Open AccessEffect of the non-nearest-neighbor hopping on the electronic structure of armchair graphene nanoribbons
Author(s) -
Jin Zi-Fei,
Tong Guo-ping,
Yaojia Jiang
Publication year - 2009
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.58.8537
Subject(s) - condensed matter physics , k nearest neighbors algorithm , van hove singularity , graphene , band gap , singularity , physics , graphene nanoribbons , electron , materials science , quantum mechanics , fermi level , mathematical analysis , mathematics , artificial intelligence , computer science
Based on the tight-binding model, the non-nearest-neighbor hopping terms of electrons are taken into account and the energy spectra of the armchair graphene nanoribbons AGRNs are given analytically. The changes of the energy band and the gap with the non-nearest-neighbor terms are discussed. The results show that the next-nearest-neighbor term can increase the gap and the third-nearest-neighbor term can narrow the gap. The competition relationship between the edge relaxation and the non-neighbor term is compared. When the width n is odd, the van Hove singularity from graphene sheets leads to the dispersion-less band. When the width of AGRNs goes to infinity, the spectrum of AGRNs tends to that of graphene sheets.