• 文献标题:   Second-order envelope equation of graphene electrons
  • 文献类型:   Article
  • 作  者:   LUO J
  • 作者关键词:   graphene, electronic structure
  • 出版物名称:   SOLID STATE COMMUNICATIONS
  • ISSN:   0038-1098 EI 1879-2766
  • 通讯作者地址:   Univ Puerto Rico
  • 被引频次:   0
  • DOI:   10.1016/j.ssc.2014.07.007
  • 出版年:   2014

▎ 摘  要

A treatment of graphene's electronic states based on this tight-binding method is presented. Like Dirac equation, this treatment uses envelope functions to eliminate crystal potential. Besides, a density-functional-theory Kohn-Sham (KS) orbital of an isolated carbon atom is employed. By locally expanding envelope functions into second-order polynomials and by involving up to third-nearest atoms in calculating orbital integrals, the second-order envelope equation is obtained. This equation does not contain any experimental data except graphene's crystal structure, and its coefficients are determined through several kinds of integrals of the carbon KS orbital. As an improvement, it leads to more accurate energy dispersion than Dirac equation including the triangular warping effect and asymmetry for electrons and holes, and gives the Fermi velocity which is in good agreement with the experimental value. (C) 2014 Elsevier Ltd. All rights reserved.