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Vibrational properties of disordered stealthy hyperuniform 1D atomic chains.

Houlong Zhuang1, Duyu Chen2, Lei Liu1

  • 1School for Engineering of Matter, Transport and Energy, Arizona State University, Tempe, AZ 85287, United States of America.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|April 5, 2024
PubMed
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Disorder hyperuniformity in atomic chains reveals hidden order, enabling delocalized vibrational states for superior phonon transport. These stealthy hyperuniform (SHU) materials offer potential for advanced thermal and phononic applications.

Keywords:
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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Quantum Materials

Background:

  • Disorder hyperuniformity represents a unique state of matter with hidden order, bridging crystalline and disordered systems.
  • This state has been observed in quantum materials like graphene and silica, exhibiting unusual electronic properties.
  • Understanding its impact on vibrational properties is crucial for material design.

Purpose of the Study:

  • To numerically investigate the vibrational properties of 1D atomic chains with stealthy hyperuniform (SHU) disorder.
  • To quantitatively assess how SHU disorder influences cohesive and vibrational characteristics compared to crystalline and random systems.
  • To explore the potential of SHU materials for phonon transport and thermal applications.

Main Methods:

  • Numerical simulations of 1D atomic chain models: perfect crystalline, stealthy hyperuniform (SHU), and randomly perturbed.
  • Calculation of cohesive energies to assess material stability.
  • Inverse Partition Ratio (IPR) analysis to determine the localization of vibrational states.
  • Phonon density of states (DOS) calculations.

Main Results:

  • Disordered SHU chains exhibit lower cohesive energies than randomly perturbed chains, suggesting experimental reliability.
  • SHU chains support fully delocalized vibrational states across a broad frequency range (0–100 cm⁻¹), similar to crystals.
  • This delocalization indicates superior phonon transport capabilities in SHU materials, contrary to typical disordered systems.
  • A distinct group of localized vibrational states emerges around 200 cm⁻¹, marked by peaks in IPR and phonon DOS.

Conclusions:

  • Stealthy hyperuniformity in 1D atomic chains offers a pathway to achieve delocalized phonon transport, traditionally limited in disordered systems.
  • The observed localized states near 200 cm⁻¹ could be leveraged for decoupling electron and phonon behaviors.
  • These findings provide a foundation for engineering novel quantum materials with tailored thermal and phononic properties using SHU disorder.