Edge states of zigzag graphene nanoribbons with B and N doping at edge atoms

TL;DR

This paper theoretically investigates the electronic properties and edge states of zigzag BCN nanoribbons with B and N doping, revealing conditions for flat bands and edge states at the Fermi level through tight binding and analytical methods.

Contribution

It introduces a theoretical analysis of edge states in BCN nanoribbons with B and N doping, highlighting the conditions for flat bands and edge states at the Fermi level.

Findings

Edge states appear at the Fermi level when B and N atoms are equally substituted.

Flat bands are observed at the Fermi level under specific doping conditions.

Analytical demonstration of edge states using transfer matrix method.

Abstract

Using a tight binding model, we theoretically study the electronic properties of zigzag boron-carbon-nitride (BCN) nanoribbons where the outermost C atoms of zigzag graphene nanoribbons are replaced with B and N atoms. We show that the flat bands and edge states appear at the Fermi level when the number of B and N atoms are equal except the case of six times supercell. To investigate the origin of the edge states in BCN nanoribbons, we consider the semi-infinite graphene sheet with zigzag edge where outermost C atoms are replaced with B and N atoms. We analytically demonstrate the presence of edge states at the zigzag edges and flat bands using a transfer matrix method.