Dependence of band structures on stacking and field in layered graphene

TL;DR

This study investigates how stacking arrangements and electric fields influence the electronic band structures of layered graphene systems using density functional theory, revealing stability and tunable band gaps in specific configurations.

Contribution

It provides new insights into the stability and electric field dependence of band gaps in various layered graphene structures, especially Bernal and rhombohedral types.

Findings

Rhombohedral and Bernal layered graphene are stable.

Rhombohedral systems exhibit electric field-tunable band gaps.

Bernal-type films remain semi-metallic regardless of electric field.

Abstract

Novel systems of layered graphene are attracting interest for theories and applications. The stability, band structures of few-layer graphite films, and their dependence on electric field applied along the c-axis are examined within the density functional theory. We predict that those of Bernal type and also rhombohedral type tri- and tetra-layer graphite films exhibit stability. The rhombohedral-type systems including AB-bilayer, show variable band gap induced by perpendicular electric field, whereas the other systems such as the Bernal-type films stay semi-metallic.