Tunable topological electronic structures in Sb(111) bilayers:A first-principles study

摘要

Electronic structures and band topology of a single Sb(lll) bilayer in the buckled honeycomb configuration are investigated using first-principles calculations. A nontrivial topological insulating phase can be induced by tensile strain, indicating the possibility of realizing the quantum spin Hall state for Sb thin films on suitable substrates. The presence of buckling provides an advantage in controlling the band gap through an out-of-plane external electric field, making a topological phase transition with six spin-polarized Dirac cones at the critical point. With a tunable gap and reversible spin polarization, Sb thin films are promising candidates for spintronic applications.