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Non-monotonic Pressure Dependence of the Thermal Conductivity of Boron Arsenide

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Journal Article - Open Access

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Boston College Chestnut Hill United States

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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, , which first increases similar to most materials and then decreases. The resulting peak in 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.

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  • Thermodynamics

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