Tight-binding description of graphene -: art. no. 035412

被引:793
作者
Reich, S
Maultzsch, J
Thomsen, C
Ordejón, P
机构
[1] Tech Univ Berlin, Inst Festkorperphys, D-10623 Berlin, Germany
[2] CSIC, Inst Ciencia Mat Barcelona, E-08193 Barcelona, Spain
关键词
D O I
10.1103/PhysRevB.66.035412
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We investigate the tight-binding approximation for the dispersion of the pi and pi* electronic bands in graphene and carbon nanotubes. The nearest-neighbor tight-binding approximation with a fixed gamma(0) applies only to a very limited range of wave vectors. We derive an analytic expression for the tight-binding dispersion including up to third-nearest neighbors. Interaction with more distant neighbors qualitatively improves the tight-binding picture, as we show for graphene and three selected carbon nanotubes.
引用
收藏
页码:354121 / 354125
页数:5
相关论文
共 23 条
  • [11] Structure and electronic properties of carbon nanotubes
    Odom, TW
    Huang, JL
    Kim, P
    Lieber, CM
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2000, 104 (13) : 2794 - 2809
  • [12] SELF-INTERACTION CORRECTION TO DENSITY-FUNCTIONAL APPROXIMATIONS FOR MANY-ELECTRON SYSTEMS
    PERDEW, JP
    ZUNGER, A
    [J]. PHYSICAL REVIEW B, 1981, 23 (10): : 5048 - 5079
  • [13] Chirality dependence of the density-of-states singularities in carbon nanotubes
    Reich, S
    Thomsen, C
    [J]. PHYSICAL REVIEW B, 2000, 62 (07): : 4273 - 4276
  • [14] Electronic band structure of isolated and bundled carbon nanotubes -: art. no. 155411
    Reich, S
    Thomsen, C
    Ordejón, P
    [J]. PHYSICAL REVIEW B, 2002, 65 (15) : 1554111 - 15541111
  • [15] Saito R., 1998, PHYS PROPERTIES CARB, DOI [10.1016/j.physrep.2004.10.006, DOI 10.1016/J.PHYSREP.2004.10.006]
  • [16] SanchezPortal D, 1997, INT J QUANTUM CHEM, V65, P453, DOI 10.1002/(SICI)1097-461X(1997)65:5<453::AID-QUA9>3.0.CO
  • [17] 2-V
  • [18] ENERGETICS OF INTERPLANAR BINDING IN GRAPHITE
    SCHABEL, MC
    MARTINS, JL
    [J]. PHYSICAL REVIEW B, 1992, 46 (11) : 7185 - 7188
  • [19] The SIESTA method for ab initio order-N materials simulation
    Soler, JM
    Artacho, E
    Gale, JD
    García, A
    Junquera, J
    Ordejón, P
    Sánchez-Portal, D
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2002, 14 (11) : 2745 - 2779
  • [20] SOLER JM, CONDMAT0111138