Two-atom-thin topological crystalline insulators lacking out of plane inversion symmetry

J Phys Condens Matter. 2022 Nov 25;35(3). doi: 10.1088/1361-648X/aca135.

Abstract

A two-dimensional topological crystalline insulator (TCI) with a single unit cell (u.c.) thickness is demonstrated here. To that end, one first shows that tetragonal (C4in-plane) symmetry is not a necessary condition for the creation of zero-energy metallic surface states on TCI slabs of finite-thicknesses, because zero-energy states persist even as all the in-plane rotational symmetries-furnishing topological protection-are completely removed. In other words, zero-energy levels on the model are not due to (nor are they protected by) topology. Furthermore, effective two-fold energy degeneracies taking place at few discretek-points away from zero energy in the bulk Hamiltonian-that are topologically protected-persist at the u.c. thickness limit. The chiral nature of the bulk TCI Hamiltonian permits creating a2×2square Hamiltonian, whose topological properties remarkably hold invariant at both the bulk and at the single u.c. thickness limits. The identical topological characterization for bulk and u.c.-thick phases is further guaranteed by a calculation involving Pfaffians. This way, a two-atom-thick TCI is deployed hereby, in a demonstration of a topological phase that holds both in the bulk, and in two dimensions.

Keywords: electronic structure; topological crystalline insulators; two dimensional materials.