Carbon Kagome Nanotubes -- quasi-one-dimensional nanostructures with flat bands

TL;DR

This paper introduces carbon Kagome nanotubes (CKNTs), a new carbon allotrope with flat bands, analyzing their stability, electronic, and mechanical properties, revealing potential for novel correlated electron phenomena and flat band physics.

Contribution

The study presents the first theoretical investigation of CKNTs, demonstrating their stability, metallic nature, flat bands, and unique electronic responses to strain, expanding the landscape of carbon nanostructures.

Findings

CKNTs are stable at room temperature.

All CKNTs exhibit flat electronic bands near the Fermi level.

Twisting CKNTs splits degenerate states and induces Dirac points.

Abstract

We introduce carbon Kagome nanotubes (CKNTs) -- a new allotrope of carbon formed by rolling up sheets of Kagome graphene, and investigate the properties of this material using first principles calculations. Based on the direction of rolling, we identify two principal varieties of CKNTs -- armchair and zigzag, and find that the bending stiffness associated with rolling Kagome graphene into either type of CKNT is about a third of that associated with rolling conventional graphene into carbon nanotubes (CNTs). Ab initio molecular dynamics simulations indicate that both types of CKNTs are likely to exist as stable structures at room temperature. Each CKNT explored here is metallic and features dispersionless states (i.e., flat bands) throughout its Brillouin zone, along with an associated singular peak in the electronic density of states, close to the Fermi level. We calculate the mechanical and electronic response of CKNTs to torsional and axial strains and compare against conventional CNTs. We show in particular, that upon twisting, degenerate dispersionless electronic states in CKNTs split, Dirac points and partially flat bands emerge from the quadratic band crossing point at the Fermi level, and that these features can be explained using a relatively simple tight-binding model. Overall, CKNTs appear to be unique and striking examples of realistic elemental quasi-one-dimensional (1D) materials that can potentially display fascinating collective material properties arising from the presence of strongly correlated electrons. Additionally, distorted CKNTs may provide an interesting material platform where flat band physics and chirality induced anomalous transport effects may be studied together.