Emergence of non-centrosymmetric topological insulating phase in BiTeI under pressure

Abstract

The spin-orbit interaction affects the electronic structure of solids in various ways. Topological insulators are one example where the spin-orbit interaction leads the bulk bands to have a non-trivial topology, observable as gapless surface or edge states. Another example is the Rashba effect, which lifts the electron-spin degeneracy as a consequence of spin-orbit interaction under broken inversion symmetry. It is of particular importance to know how these two effects, i.e. the non-trivial topology of electronic states and Rashba spin splitting, interplay with each other. Here we show, through sophisticated first-principles calculations, that BiTeI, a giant bulk Rashba semiconductor, turns into a topological insulator under a reasonable pressure. This material is shown to exhibit several unique features such as, a highly pressure-tunable giant Rashba spin splitting, an unusual pressure-induced quantum phase transition, and more importantly the formation of strikingly different Dirac surface states at opposite sides of the material.

5 figures are included

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• Quantum nonlinear Hall effect induced by Berry curvature dipole in time-reversal invariant materials
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• Weyl semimetals from noncentrosymmetric topological insulators
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• Giant ambipolar Rashba effect in a semiconductor: BiTeI
• Strongly spin-orbit coupled two-dimensional electron gas emerging near the surface of polar semiconductors
• Signatures of a Pressure-Induced Topological Quantum Phase Transition in BiTeI
• Strongly enhanced Berry dipole at topological phase transitions in BiTeI
• Surface and bulk Fermiology and band dispersion in non-centrosymmetric BiTeI
• New Family of Quantum Spin Hall Insulators in Two-dimensional Transition-Metal Halide with Large Nontrivial Band Gaps
• Strain Induced Ferroelectric Topological Insulator
• Enhancement of bulk photovoltaic effect in topological insulators
• Understanding topological phase transition in transition metal dichalcogenides
• Nonlinear Hall effect with time-reversal symmetry: Theory and material realizations
• New Family of Robust 2D Topological Insulators in van der Waals Heterostructures
• High-Temperature Quantum Anomalous Hall Effect in n-p Codoped Topological Insulators
• Prediction of Giant Spin Motive Force due to Rashba Spin-Orbit Coupling
• Phonon-induced topological transitions and crossovers in Dirac materials
• Switching of the topologically trivial and non-trivial quantum phase transitions in compressed 1T-TiTe2: Experiments and Theory
• Quantum Criticality of Topological Phase Transitions in 3D Interacting Electronic Systems
• Emergence of topological semimetals in gap closing in semiconductors without inversion symmetry
• Photoinduced Chern insulating states in semi-Dirac materials
• Infrared and Raman spectroscopy measurements of a transition in the crystal structure and a closing of the energy gap of BiTeI under pressure
• Topological quantum phase transition and superconductivity induced by pressure in the bismuth tellurohalide BiTeI
• The Role of Shift Vector in High-Harmonic Generation from Non-Centrosymmetric Topological Insulators under Strong Laser Fields
• Two-Dimensional Inversion Asymmetric Topological Insulators in Functionalized III-Bi Bilayers
• Topological Crystalline Insulator Nanomembrane with Strain-Tunable Band Gap
• Topological semimetals studied by ab initio calculations
• Observation of the spin-polarized surface state in a noncentrosymmetric superconductor BiPd
• Intertwined Rashba, Dirac and Weyl Fermions in Hexagonal Hyperferroelectrics
• Pressure induced electronic topological transition in Sb2S3
• Temperature-induced topological phase transitions: promoted vs. suppressed non-trivial topology
• Phonon-induced topological insulation
• Giant magneto-optical response in non-magnetic semiconductor BiTeI driven by bulk Rashba spin splitting
• Hierarchical spin-orbital polarisation of a giant Rashba system
• Strain-induced quantum topological phase transitions in Na3Bi
• Negative piezoelectric response of van der Waals layered bismuth tellurohalides
• Three-dimensional bulk band dispersion in polar BiTeI with giant Rashba-type spin splitting
• Optical properties of BiTeBr and BiTeCl
• Exfoliation of single layer BiTeI flakes
• Kramers Nodal Line Metals
• Mechanisms of enhanced orbital dia- and paramagnetism: Application to the Rashba semiconductor BiTeI
• Electrically Controlled Spin Injection from Giant Rashba Spin-Orbit Conductor BiTeBr
• Pressure-induced topological phase transition in polar semiconductor BiTeBr
• Phonon-induced renormalization of electron wave functions
• Theory of topological quantum phase transitions in 3D noncentrosymmetric systems
• Unconventional dc transport in Rashba electron gases
• Engineering Topological Surface States and Giant Rashba Spin Splitting in BiTeI/Bi${}_2$Te${}_3$ Heterostructures
• Spin-orbit scattering visualized in quasiparticle interference
• Giant switchable Rashba effect in oxide heterostructures
• Bulk Signatures of Pressure-Induced Band Inversion and Topological Phase Transitions in Pb${}_{1-x}$Sn${}_x$Se
• Temperature dependence of the bulk Rashba splitting in the bismuth tellurohalides
• Unconventional spin texture in a non-centrosymmetric quantum spin Hall insulator
• Functionalized Thallium Antimony Films as Excellent Candidates for Large-Gap Quantum Spin Hall Insulator
• Three-dimensional topological insulators: A review on host materials
• Termination-dependent surface properties in the giant-Rashba semiconductors BiTeX (X = Cl, Br, I)
• Pressure effects on crystal and electronic structure of bismuth tellurohalides
• Superconductivity in Dense Rashba Semiconductor BiTeCl
• Magneto-transport in copper-doped noncentrosymmetric BiTeI
• Robust Room-Temperature Quantum Spin Hall Effect in Methyl-functionalized InBi honeycomb film
• Observation of Dirac surface states in the noncentrosymmetric superconductor BiPd
• Uniaxial stress controlled anisotropic Rashba effects and carriers-based currents in BiTeI monolayer semiconductor
• Robust Large Gap Quantum Spin Hall Insulators in Methyl-functionalized III-Bi Buckled Honeycombs
• Ab initio electronic structure and optical conductivity of bismuth tellurohalides
• Strain-Induced Topological Magnon Phase Transitions: Applications to Kagome-Lattice Ferromagnets
• Crystal and electronic structure of BiTeI, AuTeI, and PdTeI compounds: A dispersion-corrected density-functional study
• Role of four-fermion interaction and impurity in the states of two-dimensional semi-Dirac materials
• Tuning the Fermi level through the Dirac point of giant Rashba semiconductor BiTeI with pressure
• Two-Dimensional Large Gap Topological Insulators with Large Rashba Spin-Orbit Coupling in Group-IV films
• Imaging ambipolar two-dimensional carriers induced by the spontaneous electric polarization of a polar semiconductor BiTeI
• Temperature dependence of the topological phase transition of BiTeI from first principles
• Enhanced quasiparticle dynamics of quantum well states: the giant Rashba system BiTeI and topological insulators
• Continuous control of classical-quantum crossover by external high pressure in the coupled chain compound CsCuCl${}_3$
• Structural disorder-driven topological phase transition in noncentrosymmetric BiTeI
• Crystal growth and electronic properties of a 3D Rashba material, BiTeI, with adjusted carrier concentrations
• Unusual Shubnikov-de Haas oscillations in BiTeCl
• Pressure dependence of the band-gap energy in BiTeI
• Intertwined non-trivial band topology and giant Rashba spin splitting
• Pressure-Driven Magneto-Topological Phase Transition in a magnetic Weyl semimetal
• Pressure-induced superconductivity in the giant Rashba system BiTeI
• BiTeCl and BiTeBr: a comparative high-pressure optical study
• Phase transition with trivial quantum criticality in anisotropic Weyl semimetal
• Co-existence of Topological Non-trivial and Spin Gapless Semiconducting Behavior in MnPO${}_4$: A Composite Quantum Compound
• Topological phase in non-centrosymmetric material NaSnBi
• Strain-induced topological charge control in multifold fermion systems
• Cooper instability generated by attractive fermion-fermion interaction in the two-dimensional semi-Dirac semimetals
• Off-resonant light-induced topological phase transition and thermoelectric transport in semi-Dirac materials
• Gate-control of spin-motive force and spin-torque in Rashba SOC systems
• Interplay between spin-orbit coupling and crystal-field effect in topological insulators
• Spin-orbit related power-law dependence of the diffusive conductivity on the carrier density in disordered Rashba two-dimensional electron systems
• Manipulating quantum channels in weak topological insulator nanoarchitectures
• Interplay between disorder and inversion symmetry: Extreme enhancement of the mobility near the Weyl point in BiTeI
• Superconducting topological Dirac semimetals: $P6/m$-Si${}_6$ and $P6/m$-NaSi${}_6$
• Nonlinear bulk photocurrent probe Z2 topological phase transition
• Unconventional Topological Insulators from Extended Topological Band Degeneracies
• Optical study of the charge dynamics evolution in the topological insulators MnBi${}_2$Te${}_4$ and Mn(Bi${}_{0.74}$Sb${}_{0.26}$)${}_2$Te${}_4$ under high pressure
• Enhancement of Giant Rashba Splitting in BiTeI under Asymmetric Interlayer Interaction
• Boltzmann electronic dc transport in multiorbital weakly-disordered crystals
• Ferroelectric switching of quantum anomalous Hall effects in MnBi2Te4 films
• Transport evidence of robust topological surface state in BiTeCl single crystals, the first strong inversion asymmetric topological insulator
• Confinement Effect Driven Quantum Spin Hall Effect in Monolayer AuTe2Cl
• Global phase diagram of Coulomb-interacting anisotropic Weyl semimetals with disorder
• Classification of spin Hall effect in two-dimensional systems
• Non-Lifshitz invariants corrections to Dzyaloshinskii-Moriya interaction energy
• Two-dimensional Intrinsic Janus Structures: Design Principle and Anomalous Nonlinear Optics
• Scanning tunneling microscopy study of the possible topological surface states in BiTeCl