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Two-dimensional square lattice polonium stabilized by the spin-orbit coupling.

Shota Ono1

  • 1Department of Electrical, Electronic and Computer Engineering, Gifu University, Gifu, 501-1193, Japan. shota_o@gifu-u.ac.jp.

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|July 18, 2020
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Spin-orbit coupling (SOC) stabilizes two-dimensional polonium (poloniumene) in a square lattice. This effect is crucial for preventing instabilities and achieving a stable 2D material, unlike its 3D counterpart.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Quantum Chemistry

Background:

  • Polonium's unique three-dimensional simple cubic (SC) lattice is debated to be stabilized by scalar relativistic effects or spin-orbit coupling (SOC).
  • Investigating lower-dimensional phases of polonium is essential for understanding its fundamental properties and potential applications.

Purpose of the Study:

  • To investigate the structural and electronic properties of two-dimensional polonium (poloniumene).
  • To determine the role of spin-orbit coupling (SOC) in stabilizing the predicted 2D polonium structure.

Main Methods:

  • Density-functional theory (DFT) calculations were employed to model poloniumene.
  • Phonon dispersion calculations were performed to assess lattice stability.

Main Results:

  • Two-dimensional polonium (poloniumene) adopts a square lattice structure as its ground state.
  • Spin-orbit coupling (SOC) was found to be essential in suppressing the Peierls instability.
  • SOC is necessary to achieve a stable lattice with no imaginary phonon frequencies across the Brillouin zone.

Conclusions:

  • The square lattice of poloniumene is stabilized by spin-orbit coupling (SOC), not just scalar relativistic effects.
  • Poloniumene presents a novel 2D material with potential for unique electronic and structural properties.