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Related Experiment Videos

BC8 Silicon (Si-III) is a Narrow-Gap Semiconductor.

Haidong Zhang1, Hanyu Liu1, Kaya Wei2

  • 1Geophysical Laboratory, Carnegie Institution of Washington, Washington DC 20015, USA.

Physical Review Letters
|April 22, 2017
PubMed
Summary

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Large-volume synthesis of BC8 silicon enables new insights. This silicon phase is a direct band gap semiconductor, not semimetallic, with potential for infrared plasmonic applications and reduced thermal conductivity.

Area of Science:

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

Background:

  • Previous studies on BC8 silicon (Ia3¯, cI16) yielded conflicting results regarding its electronic properties.
  • Large-volume, phase-pure synthesis of BC8 silicon was recently achieved, enabling comprehensive property measurements.

Purpose of the Study:

  • To accurately characterize the optical, electronic, and thermal properties of BC8 silicon.
  • To resolve discrepancies in existing experimental data and theoretical calculations for BC8 silicon.

Main Methods:

  • Far- and mid-infrared optical spectroscopy.
  • Temperature-dependent electrical conductivity measurements.
  • Seebeck coefficient and heat capacity measurements.
  • First-principles calculations using hybrid functionals.

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Main Results:

  • BC8 silicon is a direct band gap semiconductor with a small energy gap and moderate room-temperature carrier properties.
  • Observed plasma wavelength near 11 μm suggests potential for infrared plasmonic applications.
  • Thermal conductivity is significantly lower (1-2 orders of magnitude) than diamond cubic silicon.
  • Electronic structure and dielectric properties are well-reproduced by first-principles calculations with adjusted exact Hartree-Fock exchange.

Conclusions:

  • BC8 silicon is a semiconductor, clarifying previous semimetallic interpretations.
  • The material exhibits unique optical and thermal properties with potential technological applications.
  • Advanced computational methods are crucial for accurately predicting the properties of novel silicon phases.