Strain Induced Ferroelectric Topological Insulator

Abstract: The simultaneous presence of seemingly incompatible properties of solids often provides a unique opportunity to address questions of fundamental and practical importance. The coexistence of ferroelectric and topological orders is one such example. Ferroelectrics, which have a spontaneous macroscopic polarization switchable by an applied electric field, usually are semiconductors with a well-developed wide band gap with a few exceptions. On the other hand, time-reversal symmetric $Z_2$ topological insulators (TI), characterized by robust metallic surface states protected by the topology of the bulk, usually are narrow-gap semiconductors ($< 0.7$ eV) which allow band inversion induced by the spin-orbit interaction. To date, a ferroelectric topological insulator (FETI) has remained elusive, owing to the seemingly contradictory characters of the ferroelectric and topological orders. Here, we report that the FETI can be realized in halide perovskite CsPbI$_3$ under strain. Our first-principles study reveals that a non-centrosymmetric ferroelectric structure of CsPbI$_3$ is energetically favored under a wide range of pressures, while maintaining its topological order. The proposed FETI is characterized by switchable polar surfaces with spin-momentum locked Dirac cones, which allows for electric-field control of topological surface states (TSSs) and the surface spin current. Our demonstration of a FETI in a feasible material opens doors for future studies combining ferroelectric and topological orders, and offers a new paradigm for diverse applications in electronics, spintronics, and quantum information.