2023
DOI: 10.1088/1674-1056/acb201
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Effects of phonon bandgap on phonon–phonon scattering in ultrahigh thermal conductivity θ-phase TaN

Abstract: Phonon bandgap typically has a significant effect on phonon-phonon scattering process. In this work, the effects of mass modified phonon bandgap in θ-phase TaN are systemically investigated by the means of first-principles calculation with linearized Boltzmann transport equation. Through detailed calculations, we find that phonon bandgap has a significant effect on three-phonon process while exhibits a much weaker effect on four-phonon process. The reason for the ultrahigh thermal conductivity of θ-phase TaN i… Show more

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