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Quantum spin hall insulators in strain-modified arsenene.

Haijun Zhang1, Yandong Ma, Zhongfang Chen

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Strain engineering of honeycomb arsenene creates a 2D topological insulator (TI) with a large bulk gap, enabling room-temperature applications. This discovery highlights arsenene

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Quantum Chemistry

Background:

  • Topological insulators (TIs) are materials with unique electronic properties.
  • Achieving large bulk gaps in 2D TIs is crucial for practical applications.
  • Honeycomb arsenene is a promising 2D material.

Purpose of the Study:

  • To investigate the topological properties of strained honeycomb arsenene.
  • To explore the potential for creating 2D topological insulators with large band gaps.

Main Methods:

  • Density Functional Theory (DFT) computations were employed.
  • Analysis of band structure and topological invariants.
  • Simulation of strain modulation effects.

Main Results:

  • Tensile strain (>11.7%) induces a topological phase transition in arsenene.
  • A sizable bulk gap of up to 696 meV was predicted.
  • The quantum spin Hall effect was identified without spin-orbit coupling.
  • Edge states with a single Dirac-type crossing at the Gamma point were confirmed.

Conclusions:

  • Strained honeycomb arsenene can be engineered into a 2D topological insulator.
  • The predicted large bulk gap is suitable for room-temperature characterization and utilization.
  • This work offers a viable strategy for designing novel 2D TIs from abundant materials.