Generalized tight-binding transport model for graphene nanoribbon-based systems

被引：129

作者：

Hancock, Y. ^{[1
,2
]}

Uppstu, A. ^{[1
]}

Saloriutta, K. ^{[1
]}

Harju, A. ^{[1
,3
]}

Puska, M. J. ^{[1
]}

机构：

[1] Aalto Univ, Sch Sci & Technol, Dept Appl Phys, FIN-00076 Aalto, Finland

[2] Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England

[3] Aalto Univ, Sch Sci & Technol, Helsinki Inst Phys, FIN-00076 Aalto, Finland

来源：

PHYSICAL REVIEW B | 2010年 / 81卷 / 24期

基金：

芬兰科学院;

关键词：

D O I：

10.1103/PhysRevB.81.245402

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

An extended tight-binding model that includes up to third-nearest-neighbor hopping and a Hubbard meanfield interaction term is tested against ab initio local spin-density approximation results of band structures for armchair- and zigzag-edged graphene nanoribbons. A single tight-binding parameter set is found to accurately reproduce the ab initio results for both the armchair and zigzag cases. Transport calculations based on the extended tight-binding model faithfully reproduce the results of ab initio transport calculations of graphene nanoribbon-based systems.

引用

页数：6

共 30 条

[1] Edge-dependent selection rules in magic triangular graphene flakes [J].