In this work, we have investigated the effects of in-plane mechanical strains on the electronic properties of single-layer α-In2Se3 by means of density functional theory (DFT) calculations.
Interest
in the coexistence of intrinsic polarization and nontrivial
band topology in a single material has grown rapidly in recent years.
Although some progress has been made in this regard, in many cases,
oxygenation has been reported to lead to degradation of one or both
properties. In this scenario, employing first-principles calculations,
we demonstrate that oxygen adsorption onto the surface of the noncentrosymmetric
structure of two-dimensional (2D) In2Se3 results
in the coexistence of innate electronic polarization and topologically
protected edge states, rendering In2Se3O a stable
topological insulator with conventional and topological band gaps
greater than the thermal energy at room temperature. Furthermore,
the feasibility of controlling the topological phase by field-effect
switching is also demonstrated.
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