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

来源：

PHYSICAL REVIEW B | 2002年 / 66卷 / 03期

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

页码：354121 / 354125

页数：5

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

← 1 2 3 →