Propagating, evanescent, and localized states in carbon nanotube-graphene junctions

TL;DR

This paper investigates the electronic properties of junctions between graphene and carbon nanotubes, revealing how curvature and lattice structure influence localized states, band structures, and low-energy behaviors through tight-binding and continuum models.

Contribution

It introduces a unified continuum theory for graphene-nanotube junctions, classifies their low-energy electronic behaviors, and explains the origin of localized and flat band states.

Findings

Presence of quasi-bound states at the Fermi level in specific junctions.

Localized states arise from effective gauge flux induced by heptagonal rings.

Arrays of junctions exhibit flat bands due to confined states and standing wave formations.

Abstract

We study the electronic structure of the junctions between a single graphene layer and carbon nanotubes, using a tight-binding model and the continuum theory based on Dirac fermion fields. The latter provides a unified description of different lattice structures with curvature, which is always localized at six heptagonal carbon rings around each junction. When these are evenly spaced, we find that it is possible to curve the planar lattice into armchair (6n,6n) as well as zig-zag (6n,0) nanotubes. We show that the junctions fall into two different classes, regarding the low-energy electronic behavior. One of them, constituted by the junctions made of the armchair nanotubes and the zig-zag (6n,0) geometries when n is a multiple of 3, is characterized by the presence of two quasi-bound states at the Fermi level, which are absent for the rest of the zig-zag nanotubes. These states, localized at the junction, are shown to arise from the effective gauge flux induced by the heptagonal carbon rings, which has a direct reflection in the local density of states around the junction. Furthermore, we also analyze the band structure of the arrays of junctions, finding out that they can also be classified into two different groups according to the low-energy behavior. In this regard, the arrays made of armchair and (6n,0) nanotubes with n equal to a multiple of 3 are characterized by the presence of a series of flat bands, whose number grows with the length of the nanotubes. We show that such flat bands have their origin in the formation of states confined to the nanotubes in the array. This is explained in the continuum theory from the possibility of forming standing waves in the mentioned nanotube geometries, as a superposition of modes with opposite momenta and the same quantum numbers under the C_6v symmetry of the junction.