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Fabricating van der Waals Heterostructures with Precise Rotational Alignment
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Weyl Fermions in VI3 Monolayer.

Taoyuan Jia1, Weizhen Meng1, Haopeng Zhang1

  • 1School of Material Sciences and Engineering, Hebei University of Technology, Tianjin, China.

Frontiers in Chemistry
|October 2, 2020
PubMed
Summary

Vanadium triiodide (VI3) monolayer exhibits Weyl fermion properties, featuring a half-metal band structure with robust Weyl points and Fermi arcs. This discovery highlights VI3 as a promising material for advanced electronic applications.

Keywords:
2D materialsWeyl statefirst-principles calculationshalf-metaltopological semimetal

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Solid-State Physics

Background:

  • Weyl fermions are exotic particles crucial for understanding topological phenomena in condensed matter.
  • Half-metals offer unique electronic properties by conducting in one spin channel while insulating in the other.
  • Monolayer materials provide novel platforms for exploring quantum effects due to their reduced dimensionality.

Purpose of the Study:

  • To investigate the electronic band structure of VI3 monolayer.
  • To identify the presence and characteristics of Weyl fermions and half-metallicity in VI3.
  • To assess the robustness of these properties under various perturbations.

Main Methods:

  • First-principles calculations were employed to analyze the electronic band structure.
  • Phonon spectrum analysis confirmed the material's stability.
  • The effects of spin-orbit coupling, electron correlation, and lattice strain were systematically studied.

Main Results:

  • VI3 monolayer exhibits a stable hexagonal, sandwich-like structure with a robust phonon spectrum.
  • A half-metal band structure was identified, with three pairs of Weyl points in the spin-up channel near the Fermi level.
  • Clear Fermi arcs, characteristic edge states of Weyl semimetals, were observed.
  • The half-metallicity and Weyl points demonstrated robustness against spin-orbit coupling, electron correlation, and lattice strain.

Conclusions:

  • VI3 monolayer is theoretically confirmed to host Weyl fermions and exhibit half-metallicity.
  • The observed properties are stable under various perturbations, suggesting practical applicability.
  • VI3 monolayer emerges as a promising candidate for Weyl half-metal applications in next-generation electronics.