Effective lattice Hamiltonian for monolayer tin disulfide: Tailoring electronic structure with electric and magnetic fields

Jin Yu, Edo van Veen, Mikhail I. Katsnelson, and Shengjun Yuan
Phys. Rev. B 97, 245410 – Published 12 June 2018

Abstract

The electronic properties of monolayer tin dilsulfide (MLSnS2), 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 MLSnS2, 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 MLSnS2.

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  • Received 30 January 2018
  • Revised 4 April 2018

DOI:https://doi.org/10.1103/PhysRevB.97.245410

©2018 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Jin Yu1,2,*, Edo van Veen2, Mikhail I. Katsnelson2, and Shengjun Yuan1,2,3,†

  • 1Beijing Computational Science Research Center, Beijing 100094, China
  • 2Theory of Condensed Matter, Radboud University, Nijmegen 6525AJ, The Netherlands
  • 3School of Physics and Technology, Wuhan University, Wuhan 430072, China

  • *j.yu@science.ru.nl
  • s.yuan@whu.edu.cn

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Issue

Vol. 97, Iss. 24 — 15 June 2018

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