Topological surface states on Bi(111) based on empirical tight-binding calculations

Abstract

The topological order of single-crystal Bi and its surface states on the (111) surface are studied in detail based on empirical tight-binding (TB) calculations. New TB parameters are presented that are used to calculate the surface states of semi-infinite single-crystal Bi(111), which agree with the experimental angle-resolved photoelectron spectroscopy results. The influence of the crystal lattice distortion is surveyed and a topological phase transition is found that is driven by in-plane expansion. In contrast with the semi-infinite system, the surface-state dispersions on finite-thickness slabs are non-trivial irrespective of the bulk topological order. The role of the interaction between the top and bottom surfaces in the slab is systematically studied, and it is revealed that a very thick slab is required to properly obtain the bulk topological order of Bi from the (111) surface state: above 150 biatomic layers in this case.

arXiv comment18 pages, 6 figures and 2 tables

References in corpus (21)

• Topological Insulators
• Topological insulators and superconductors
• Quantum Spin Hall Insulator State in HgTe Quantum Wells
• Topological Insulators with Inversion Symmetry
• Discovery (theoretical prediction and experimental observation) of a large-gap topological-insulator class with spin-polarized single-Dirac-cone on the surface
• A topological Dirac insulator in a quantum spin Hall phase : Experimental observation of first strong topological insulator
• New Perspectives for Rashba Spin-Orbit Coupling
• First observation of Spin-Momentum Helical Locking in Bi2Se3 and Bi2Te3, demonstration of Topological-Order at 300K and a realization of topological-transport-regime
• First direct observation of Spin-textures in Topological Insulators : Spin-resolved ARPES as a probe of topological quantum spin Hall effect and Berry's phase
• Surface States of the Topological Insulator Bi_{1-x}Sb_x
• Strong spin-orbit splitting on Bi surfaces
• One-dimensional Topological Edge States of Bismuth Bilayers
• Single-Dirac-Cone topological surface states in TlBiSe2 class of Topological Insulators
• Theoretical Prediction of Topological Insulators in Thallium-based III-V-VI${}_2$ Ternary Chalcogenides
• Electronic phase transitions of bismuth under strain from relativistic self-consistent GW calculations
• Proving Nontrivial Topology of Pure Bismuth by Quantum Confinement
• Non-trivial Surface-band Dispersion on Bi(111)
• Topological insulators from the Perspective of first-principles calculations
• Surface band structure of ${\text{Bi}}_{1-x}{\text{Sb}}_x$(111)
• Surface and Edge States in Topological Semi-metals
• Tight-binding theory of surface spin states on bismuth thin films

Cited by in corpus (11)

• Higher-Order Topology in Bismuth
• Resolving the Topological Classification of Bismuth with Topological Defects
• $Z_2$ topology of bismuth
• Electronic properties of bismuth nanostructures
• Effect of strain and many-body corrections on the band inversions and topology of bismuth
• Boundary conductance in macroscopic bismuth crystals
• Analytical Solutions for the Surface States of Bi${}_{1-x}$Sb${}_x$ ($0\le x\lesssim 0.1$)
• Temperature-driven modification of surface electronic structure on bismuth, a topological border material
• Unconventional hybrid-order topological insulators
• Quantum Confinement and Heavy Surface States of Dirac Fermions in Bismuth (111) Films: an Analytical Approach
• Topological blocking at the Bi(111) surface due to surface relaxation