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Non-monotonic pressure dependence of the thermal conductivity of boron arsenide

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  • Navaneetha K. Ravichandran

    (Boston College)

  • David Broido

    (Boston College)

Abstract

Recent experiments demonstrate that boron arsenide (BAs) is a showcase material to study the role of higher-order four-phonon interactions in affecting heat conduction in semiconductors. Here we use first-principles calculations to identify a phenomenon in BAs and a related material - boron antimonide, that has never been predicted or experimentally observed for any other material: competing responses of three-phonon and four-phonon interactions to pressure rise cause a non-monotonic pressure dependence of thermal conductivity, κ, which first increases similar to most materials and then decreases. The resulting peak in κ shows a strong temperature dependence from rapid strengthening of four-phonon interactions relative to three-phonon processes with temperature. Our results reveal pressure as a knob to tune the interplay between the competing phonon scattering mechanisms in BAs and similar compounds, and provide clear experimental guidelines for observation in a readily accessible measurement regime.

Suggested Citation

  • Navaneetha K. Ravichandran & David Broido, 2019. "Non-monotonic pressure dependence of the thermal conductivity of boron arsenide," Nature Communications, Nature, vol. 10(1), pages 1-8, December.
    • Handle: RePEc:nat:natcom:v:10:y:2019:i:1:d:10.1038_s41467-019-08713-0
    DOI: 10.1038/s41467-019-08713-0
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