Quantum anomalous Hall and quantum spin-Hall phases in flattened Bi and Sb bilayers

Abstract

Discovery of two-dimensional topological insulator such as Bi bilayer initiates challenges in exploring exotic quantum states in low dimensions. We demonstrate a promising way to realize the Kane-Mele-type quantum spin Hall (QSH) phase and the quantum anomalous Hall (QAH) phase in chemically-modified Bi and Sb bilayers using first-principles calculations. We show that single Bi and Sb bilayers exhibit topological phase transitions from the band-inverted QSH phase or the normal insulator phase to Kane-Mele-type QSH phase upon chemical functionalization. We also predict that the QAH effect can be induced in Bi or Sb bilayers upon nitrogen deposition as checked from calculated Berry curvature and the Chern number. We explicitly demonstrate the spin-chiral edge states to appear in nitrogenated Bi-bilayer nanoribbons.