Symmetry classification of energy bands in graphene

TL;DR

This paper presents first-principles calculations of graphene's energy bands and classifies their symmetries at key points, providing insights into band merging through group theory analysis.

Contribution

It offers the first symmetry classification of graphene's energy bands based on ab initio calculations, linking band merging to group theoretical concepts.

Findings

Valence and conduction bands classified by symmetry at Γ and K points

Band merging explained via group theory

Provides a detailed symmetry analysis of graphene's electronic structure

Abstract

We present the results of the first principle calculations of the energy bands in graphene and their symmetry classification. The valence bands and four lowest conduction bands are classified according to their symmetry at the points $\Gamma$ and $K$. Merging of the bands is interpreted in the framework of the group theory.