4.8 Article

Two-dimensional MX Dirac materials and quantum spin Hall insulators with tunable electronic and topological properties

Journal

NANO RESEARCH
Volume 14, Issue 3, Pages 584-589

Publisher

TSINGHUA UNIV PRESS
DOI: 10.1007/s12274-020-3022-3

Keywords

two-dimensional; Dirac materials; density functional theory; topological properties

Funding

  1. U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0019275]
  2. National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility [DE-AC02-05CH11231]
  3. National Science Foundation [1625061]
  4. US Army Research Laboratory [W911NF-16-2-0189]
  5. National Key Research and Development Program of China [2016YFA0202300]
  6. Strategic Priority Research Program [XDB30000000]
  7. National Natural Science Foundation of China [61888102]
  8. International Partnership Program of the Chinese Academy of Sciences [112111KYSB20160061]

Ask authors/readers for more resources

The novel 2D Dirac materials in the MX family exhibit graphene-like band structures with linearly-dispersing Dirac-cone states, high Fermi velocities, and sizable topological band gaps. The electronic and topological properties are highly tunable and could induce topological superconductivity. The MX family shows promise for electronics and spintronics applications.
We propose a novel class of two-dimensional (2D) Dirac materials in the MX family (M = Be, Mg, Zn and Cd, X = Cl, Br and I), which exhibit graphene-like band structures with linearly-dispersing Dirac-cone states over large energy scales (0.8-1.8 eV) and ultra-high Fermi velocities comparable to graphene. Spin-orbit coupling opens sizable topological band gaps so that these compounds can be effectively classified as quantum spin Hall insulators. The electronic and topological properties are found to be highly tunable and amenable to modulation via anion-layer substitution and vertical electric field. Electronic structures of several members of the family are shown to host a Van-Hove singularity (VHS) close to the energy of the Dirac node. The enhanced density-of-states associated with these VHSs could provide a mechanism for inducing topological superconductivity. The presence of sizable band gaps, ultra-high carrier mobilities, and small effective masses makes the MX family promising for electronics and spintronics applications.

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