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Electron-phonon interaction in In-induced structures on Si(111) from first-principles.

Irina Yu Sklyadneva1, Rolf Heid, Pedro M Echenique

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Physical Chemistry Chemical Physics : PCCP
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Summary

Electron-phonon interactions in indium films on silicon were studied. A double indium layer significantly enhances electron-phonon coupling, leading to superconductivity, likely in a double-layer rectangular indium structure.

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Surface Science

Background:

  • Investigating electron-phonon interactions is crucial for understanding superconductivity in low-dimensional materials.
  • Silicon-supported indium films exhibit complex structural phases and potential superconducting properties.
  • The role of atomic vibrations in electron scattering dictates material conductivity and superconducting behavior.

Purpose of the Study:

  • To investigate electron-phonon interaction in rectangular indium phases supported by Si(111).
  • To determine the influence of indium layer thickness on electron-phonon coupling strength.
  • To identify the specific indium structure responsible for observed superconductivity.

Main Methods:

  • Density-functional theory (DFT) calculations were employed.
  • Linear-response theory was used to analyze electron-phonon coupling.
  • Calculated results were compared with experimental data, including ARPES measurements.

Main Results:

  • Phonon-induced electron scattering is primarily driven by indium atom vibrations.
  • Electron-phonon coupling strength (λ(EF)) nearly doubles with the addition of a second indium layer.
  • The calculated superconducting transition temperature (Tc = 3.5 K) and coupling parameter (λ(EF) = 0.99) match experimental values for a double-layer structure.

Conclusions:

  • The superconducting phase is likely a double-layer rectangular indium structure on Si(111) at 2.4 ML coverage.
  • The emergence of low-frequency phonon modes in the double-layer structure significantly enhances electron-phonon coupling.
  • DFT calculations accurately predict the electronic band structure and superconducting properties of these indium films.