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cond-mat.mtrl-sci2024
Ab initio theory of the non-resonant Raman effect in crystals at finite temperature in comparison to experiment: The examples of GaN and BaZrS3
Florian Knoop, Nimrod Benshalom, Matan Menahem +4
We present an ab initio theory of the non-resonant Raman scattering process in crystals at finite temperature in direct comparison with experiments. The theory incorporates the sca…
cond-mat.mtrl-sci2024
Mode-coupling formulation of heat transport in anharmonic materials
Aloïs Castellano, J. P. Alvarinhas Batista, Olle Hellman +1
The temperature-dependent phonons are a generalization of interatomic force constants varying in T, which as found widespread use in computing the thermal transport of materials. A…