Abstract
The electronic properties of monolayer tin dilsulfide (), 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 -like orbitals with trigonal rotation symmetry are proposed to calculate the band structure and density of states for , 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 way in describing properties in .
- Received 30 January 2018
- Revised 4 April 2018
DOI:https://doi.org/10.1103/PhysRevB.97.245410
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