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

Ravichandran, Navaneetha K.; Broido, David

doi:10.1038/s41467-019-08713-0

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

Journal Article · Tue Feb 19 00:00:00 EST 2019 · Nature Communications

DOI:https://doi.org/10.1038/s41467-019-08713-0· OSTI ID:1543755

Ravichandran, Navaneetha K. ^[1]; Broido, David ^[1]

Boston College, Chestnut Hill, MA (United States)

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.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Univ. of California, Oakland, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC); National Science Foundation (NSF)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1543755

Journal Information:: Nature Communications, Vol. 10, Issue 1; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 38 works

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