2022•Computational Materials ScienceOpen access

Monte-Carlo modeling of phonon thermal transport using DFT-based anisotropic dispersion relations over the full Brillouin zone

Jie Peng, W. Ryan Deskins, Anter El Azab

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Key concepts: Phonon, Boltzmann equation, Brillouin zone, Thermal conductivity, Anisotropy, Condensed matter physics, Phonon scattering, Monte Carlo method

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Monte-Carlo modeling of phonon thermal transport using DFT-based anisotropic dispersion relations over the full Brillouin zone — Research Paper | ScholarLens