Topological phases in Bi/Sb planar and buckled honeycomb monolayers

Abstract

We investigate topological phases in two-dimensional Bi/Sb honeycomb crystals considering planar and buckled structures, both freestanding and deposited on a substrate. We use the multi-orbital tight-binding model and compare results with density functional theory calculations. We distinguish topological phases by calculating topological invariants, analyzing edge states properties of systems in a ribbon geometry and studying their entanglement spectra. We show that coupling to the substrate induces transition to the Z2 topological insulator phase. It is observed that topological crystalline insulator (TCI) phase, found in planar crystals, exhibits an additional pair of edge states in both energy spectrum and entanglement spectrum. Transport calculations for TCI phase suggest robust quantized conductance even in the presence of crystal symmetry-breaking disorder.