Electrically Engineered Band Gap in Two-Dimensional Ge, Sn, and Pb: A First-Principles and Tight-Binding Approach

Abstract

First-principles calculations were performed to investigate the electronic structure of two-dimensional (2-D) Ge, Sn, and Pb without and with the presence of an external electric field in combination with spin-orbit coupling. Tight-binding calculations based on four orbitals per atom and an effective single orbital are presented to match with the results obtained from first-principles calculations. In particular, the electronic band structure and the band splitting are investigated with both models. Moreover, the simple $k\cdot p$ model is also considered in order to understand the band splitting in the presence of an external electric field and spin-orbit coupling. A large splitting is obtained, which is expected to be useful for spintronic devices. The fair agreement between the first-principle, $k\cdot p$ model, and tight-binding approaches leads to a table of parameters for future tight-binding studies on hexagonal 2-D nanostructures. By using the tight binding parameters, the transport properties of typical 0-D triangular quantum dots between two semi-infinite electrodes in the presence of spin-orbit coupling are addressed.

23 pages, 6 figures, and 3 tables

References in corpus (34)

• Electric Field Effect in Atomically Thin Carbon Films
• Van der Waals heterostructures
• Quantum Spin Hall Effect in Graphene
• $Z_2$ Topological Order and the Quantum Spin Hall Effect
• Control of graphene's properties by reversible hydrogenation
• Two and one-dimensional honeycomb structures of silicon and germanium
• Quantum Spin Hall Effect in Silicene
• Low-energy effective Hamiltonian involving spin-orbit coupling in Silicene and Two-Dimensional Germanium and Tin
• Large-gap quantum spin Hall insulators in tin films
• Valley-Polarized Metals and Quantum Anomalous Hall Effect in Silicene
• Topological Insulator and Helical Zero Mode in Silicene under Inhomogeneous Electric Field
• Gated Silicene as a tunable source of nearly 100% spin-polarized electrons
• MoS2/MX2 heterobilayers: Bandgap engineering via tensile strain or external electrical field
• Van der Waals trilayers and superlattices: Modification of electronic structures of MoS2 by intercalation
• Adsorption of Alkali, Alkaline Earth and Transition Metal Atoms on Silicene
• Tight--binding description of the quasiparticle dispersion of graphite and few--layer graphene
• Tuning the Structural, Electronic, and Magnetic Properties of Germanene by the Adsorption of 3$d$ Transition Metal Atoms
• Germanene termination of Ge${}_2$Pt crystals on Ge(110)
• Large Enhancement and Tunable Band Gap in Silicene by Small Organic Molecule Adsorption
• Valley polarized quantum Hall effect and topological insulator phase transitions in silicene
• Optical Signatures of the Tunable Band Gap and Valley-Spin Coupling in Silicene
• Prediction of a quantum anomalous Hall state in Co decorated silicene
• Effect of strain on electronic and thermoelectric properties of few layers to bulk MoS${}_2$
• Hole doped Dirac states in silicene by biaxial tensile strain
• Electronic properties of gated triangular graphene quantum dots: Magnetism, correlations, and geometrical effects
• Quasi free-standing silicene in a superlattice with hexagonal boron nitride
• Stability of germanene under tensile strain
• Electronic structure of two-dimensional crystals from ab-initio theory
• Electronic properties of Mn decorated silicene on hexagonal boron nitride
• Quantum spin Hall effect on germanene nanoroad embedded in a completely hydrogenated germanene
• Weak interaction between germanene and GaAs(0001) by H intercalation: A route to exfoliation
• The Structural and Electronic Properties of Pristine and Doped Polythiophene: Periodic Versus Molecular Calculations
• Fractal Weyl Law for Open Chaotic Maps
• Unconventional Fermi surface spin textures in the Bi_xPb_{1-x}/Ag(111) surface alloy

Cited by in corpus (7)

• First-principle calculations of phononic, electronic and optical properties of monolayer arsenene and antimonene allotropes
• From a normal insulator to a topological insulator in plumbene
• Materials properties of out-of-plane heterostructures of MoS${}_2$-WSe${}_2$ and WS${}_2$-MoSe${}_2$
• Electronic and optical properties of bilayer blue phosphorus
• First principle and tight-binding study of strained SnC
• Stacking-configuration-enriched essential properties in bilayer silicenes
• Topological phase in oxidized zigzag stanene nanoribbons