Abstract

We study the band structure of several stacking configurations that combine two of the three graphite structures as well as modifications of the rhombohedral sequence (from ABCABC... to CBACBA...), using first-principles calculations. We focus in particular on the possible emergence of flat bands near the Fermi level. When the two different rhombohedral orderings are combined, flat bands of topological origin emerge at the interface between the two domains, near the K and K′ points of the Brillouin zone. Mapping a simple tight-binding model of a rhombohedral slab along the direction perpendicular to the graphene layers onto a Su–Schrieffer–Heeger chain provides a transparent understanding of the underlying physics.

Abstract

We study the band structure of several stacking configurations that combine two of the three graphite structures as well as modifications of the rhombohedral sequence (from ABCABC... to CBACBA...), using first-principles calculations. We focus in particular on the possible emergence of flat bands near the Fermi level. When the two different rhombohedral orderings are combined, flat bands of topological origin emerge at the interface between the two domains, near the K and K′ points of the Brillouin zone. Mapping a simple tight-binding model of a rhombohedral slab along the direction perpendicular to the graphene layers onto a Su–Schrieffer–Heeger chain provides a transparent understanding of the underlying physics.

Abstract

We study the band structure of several stacking configurations that combine two of the three graphite structures as well as modifications of the rhombohedral sequence (from ABCABC... to CBACBA...), using first-principles calculations. We focus in particular on the possible emergence of flat bands near the Fermi level. When the two different rhombohedral orderings are combined, flat bands of topological origin emerge at the interface between the two domains, near the K and K′ points of the Brillouin zone. Mapping a simple tight-binding model of a rhombohedral slab along the direction perpendicular to the graphene layers onto a Su–Schrieffer–Heeger chain provides a transparent understanding of the underlying physics.

Abstract

We study the band structure of several stacking configurations that combine two of the three graphite structures as well as modifications of the rhombohedral sequence (from ABCABC... to CBACBA...), using first-principles calculations. We focus in particular on the possible emergence of flat bands near the Fermi level. When the two different rhombohedral orderings are combined, flat bands of topological origin emerge at the interface between the two domains, near the K and K′ points of the Brillouin zone. Mapping a simple tight-binding model of a rhombohedral slab along the direction perpendicular to the graphene layers onto a Su–Schrieffer–Heeger chain provides a transparent understanding of the underlying physics.