• 文献标题:   Model study of the effect of Coulomb interaction on band gap of graphene-on-substrates
  • 文献类型:   Article
  • 作  者:   SAHU S, ROUT GC
  • 作者关键词:   graphene, coulombinteraction, dos, occupation number, energy band dispersion, specific heat
  • 出版物名称:   PHYSICA BCONDENSED MATTER
  • ISSN:   0921-4526 EI 1873-2135
  • 通讯作者地址:   Phys Enclave
  • 被引频次:   27
  • DOI:   10.1016/j.physb.2014.12.014
  • 出版年:   2015

▎ 摘  要

Graphene develops modulated gap, when it is placed on different substrates. In order to study the effect of Coulomb interaction on the gaps, we propose here a tight-binding model taking nearest-neighbor hopping integrals in the presence of Coulomb interactions on two inequivalent sublattices of honeycomb lattice of graphene. Here Coulomb interaction is treated within a Hartree-Fock mean-field approximation and difference in electron occupation numbers is computed numerically and self-consistently It is observed that the system develops ferromagnetism at A-site atoms as well as B-site atoms. However this ferromagnetisms in two sub-lattices are antiferromagnetically ordered. The Coulomb interaction develops a gap near 'K' point in reciprocal space. The evolution of this gap is investigated in the electron density of states, energy band dispersion and electron specific heat of graphene. (C) 2014 Elsevier B.V. All rights reserved