First-principles study of electric-field-induced topological phase transition in one-bilayer Bi(111)

Abstract

Using first-principles calculations, we found the topological phase transition induced by electric fields in one-bilayer Bi(111). The bandgap decreased with increasing electric field strength, and it is closed at 2.1 V/Å. For fields exceeding 2.1 V/Å, the bandgap increased with increasing electric field strength, reaching 0.34 eV at 4.0 V/Å. We computed the $Z_2$ invariant that characterizes topological insulator phases. As results, one-bilayer Bi(111) showed a topological phase transition induced by the electric field, from the topological insulator phase to the trivial insulator phase through a Dirac semimetal. This topological phase transition could be applied to novel devices.

References in corpus (5)

• Topological Insulators with Inversion Symmetry
• Quantum Spin Hall Effect and Enhanced Magnetic Response by Spin-Orbit Coupling
• Computing topological invariants without inversion symmetry
• Electric Field Induced Topological Phase Transition in Two-Dimensional Few-layer Black Phosphorus
• Topologically Nontrivial Bismuth(111) Thin Films Grown on Bi2Te3

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• Topological viewpoint of two-dimensional group III-V and IV-IV compounds in the presence of electric field and spin-orbit coupling by density functional theory and tight-binding model
• Electric-field-induced Z2 topological phase transition in strained single bilayer Bi(111)
• Thermoelectric effect in kagome lattice enhanced at van Hove singularities
• Electron transport properties of a narrow-bandgap semiconductor Bi${}_2$O${}_2$Te nanosheet