Effective lattice Hamiltonian for monolayer tin disulphide: tailoring electronic structure with electric and magnetic fields
arXiv:1804.01909 · doi:10.1103/PhysRevB.97.245410
Abstract
The electronic properties of monolayer tin dulsulphide (ML-SnS2), a recently synthesized metal dichalcogenide, are studied by a combination of first-principles calculations and tight-binding (TB) approximation. An effective lattice Hamiltonian based on six hybrid sp-like orbitals with trigonal rotation symmetry are proposed to calculate the band structure and density of states for ML-SnS2, which demonstrates good quantitative agreement with relativistic density functional theory calculations in a wide energy range. We show that the proposed TB model can be easily applied to the case of an external electric field, yielding results consistent with those obtained from full Hamiltonian results. In the presence of a perpendicular magnetic field, highly degenerate equidistant Landau levels are obtained, showing typical two-dimensional electron gas behavior. Thus, the proposed TB model provides a simple new way in describing novel properties in ML-SnS2.
References in corpus (20)
- Atomically thin MoS2: A new direct-gap semiconductor
- Two Dimensional Atomic Crystals
- Maximally-localized generalized Wannier functions for composite energy bands
- Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions
- Maximally localized Wannier functions: Theory and applications
- Ultrafast Charge Transfer in Atomically Thin MoS2/WS2 Heterostructures
- Three-band tight-binding model for monolayers of group-VIB transition metal dichalcogenides
- Landau Level Splitting in Graphene in High Magnetic Fields
- Tight-binding model and direct-gap/indirect-gap transition in single-layer and multi-layer MoS
- Tight--binding description of the quasiparticle dispersion of graphite and few--layer graphene
- Modeling electronic structure and transport properties of graphene with resonant scattering centers
- Effective lattice Hamiltonian for monolayer MoS2 : Tailoring electronic structure with perpendicular electric and magnetic fields
- Toward a realistic description of multilayer black phosphorus: from approximation to large-scale tight-binding simulations
- Landau levels and magneto-transport property of monolayer phosphorene
- Landau levels of single layer and bilayer phosphorene
- Effect of structural relaxation on the electronic structure of graphene on hexagonal boron nitride
- Role of direct exchange and Dzyaloshinskii-Moriya interactions in magnetic properties of graphene derivatives: CF and CH
- Electronic properties of single-layer antimony: Tight-binding model, spin-orbit coupling and the strength of effective Coulomb interactions
- Enhanced Screening in Chemically Functionalized Graphene
- Landau Levels in 2D materials using Wannier Hamiltonians obtained by first principles