Electronic and transport properties of rectangular graphene macromolecules and zigzag carbon nanotubes of finite length

被引:12
作者
Nikolaev, A. V. [1 ,2 ]
Bibikov, A. V. [1 ]
Avdeenkov, A. V. [1 ]
Bodrenko, I. V. [1 ]
Tkalya, E. V. [1 ]
机构
[1] Moscow MV Lomonosov State Univ, Inst Nucl Phys, Moscow 119992, Russia
[2] RAS, Inst Chem Phys, Moscow 119991, Russia
来源
PHYSICAL REVIEW B | 2009年 / 79卷 / 04期
关键词
carbon nanotubes; Fermi level; localised states; macromolecules; graphene; NANORIBBONS; RIBBONS; STATE; EDGE;
D O I
10.1103/PhysRevB.79.045418
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We study one-dimensional (1D) carbon ribbons with the armchair edges and the zigzag carbon nanotubes and their counterparts with finite length [zero dimension (0D)] in the framework of the Huckel model. Using boundary conditions we derive energy spectra for 1D carbon ribbons. At the Fermi level we construct the explicit solutions and prove the rule of metallicity. We show that the dispersion law (electron band energy) of a 1D metallic ribbon or a 1D metallic carbon nanotube has a universal sinelike dependence at the Fermi energy which is independent of its width. We find that in case of metallic graphene ribbons of finite length (rectangular graphene macromolecules) or nanotubes of finite length the discrete energy spectrum in the vicinity of epsilon=0 (Fermi energy) can be obtained exactly by selecting levels from the same dispersion law. In case of a semiconducting graphene macromolecule or a semiconducting nanotube of finite length, the positions of energy levels around the energy gap can be approximated with a good accuracy. The electron spectrum of 0D carbon structures often includes additional states at energy epsilon=0, which are localized on zigzag edges and do not contribute to the volume conductivity.
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页数:6
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