• 文献标题:   Energy-gap opening and quenching in graphene under periodic external potentials
  • 文献类型:   Article
  • 作  者:   ZHANG AH, DAI ZX, SHI L, FENG YP, ZHANG C
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF CHEMICAL PHYSICS
  • ISSN:   0021-9606 EI 1089-7690
  • 通讯作者地址:   Natl Univ Singapore
  • 被引频次:   10
  • DOI:   10.1063/1.3511782
  • 出版年:   2010

▎ 摘  要

We investigated the effects of periodic external potentials on properties of charge carriers in graphene using both the first-principles method based on density functional theory (DFT) and a theoretical approach based on a generalized effective spinor Hamiltonian. DFT calculations were done in a modified Kohn-Sham procedure that includes the effects of the periodic external potential. Unexpected energy band gap opening and quenching were predicted for the graphene superlattice with two symmetrical sublattices and those with two unsymmetrical sublattices, respectively. Theoretical analysis based on the spinor Hamiltonian showed that the correlations between pseudospins of Dirac fermions in graphene and the applied external potential, and the potential-induced intervalley scattering, play important roles in energy-gap opening and quenching. (C) 2010 American Institute of Physics. [doi:10.1063/1.3511782]