Topological band structure transitions in honeycomb antimonene as function of buckling

Abstract

The electronic band topology of monolayer $\beta$-Sb (antimonene) is studied from the flat honeycomb to the equilibrium buckled structure using first-principles calculations and analyzed using a tight-binding model and low energy Hamiltonians. In flat monolayer Sb, the Fermi level occurs near the intersection of two warped Dirac cones, one associated with the $p_z$-orbitals, and one with the $\{p_x,p_y\}$-orbitals. The differently oriented threefold warping of these two cones leads to an unusually shaped nodal line, which leads to anisotropic in-plane transport properties and goniopolarity. A slight buckling opens a gap along the nodal line except at six remaining Dirac points, protected by symmetry. Under increasing buckling, pairs of Dirac points of opposite winding number annihilate at a critical buckling angle. At a second critical angle, the remaining Dirac points disappear when the band structure becomes a trivial semiconductor. Spin-orbit coupling and edge states are discussed.

References in corpus (20)

• Electric Field Effect in Atomically Thin Carbon Films
• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Black phosphorus field-effect transistors
• Quasiparticle Self-Consistent GW Theory
• Arsenene: Two-dimensional buckled and puckered honeycomb arsenic systems
• Topological Origin of Zero-Energy Edge States in Particle-Hole Symmetric Systems
• Atomically thin group-V elemental films: theoretical investigations of antimonene allotropes
• Quasiparticle self-consistent $GW$ method; a basis for the independent-particle approximation
• Z2Pack: Numerical Implementation of Hybrid Wannier Centers for Identifying Topological Materials
• Merging of Dirac points in a two-dimensional crystal
• A new magnetic field dependence of Landau levels on a graphene like structure
• Zero modes of tight binding electrons on the honeycomb lattice
• The $p_{x,y}$-orbital counterpart of graphene: cold atoms in the honeycomb optical lattice
• Second order structural phase transitions, free energy curvature, and temperature-dependent anharmonic phonons in the self-consistent harmonic approximation: theory and stochastic implementation
• Questaal: a package of electronic structure methods based on the linear muffin-tin orbital technique
• Fractional corner charges in spin-orbit coupled crystals
• Electrodynamics on Fermi Cyclides in Nodal Line Semimetals
• Symmetry classification of energy bands in graphene
• Energy bands in graphene: Comparison between the tight-binding model and {\it ab initio} calculations
• Temperature-driven gapless topological insulator

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• Structural and Electrical Properties of Bilayer SiX (X= N, P, As and Sb)
• Topological quantum switch and controllable quasi 1D wires in antimonene
• Influence of the Fermi surface shape on magnetotransport: the MnAs case