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Femtosecond electron diffraction and theoretical study of phonon dynamics in bulk MoS2 crystal

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https://zenodo.org/record/14971880
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资源简介:
Experimental data of MoS2: Femtosecond electron diffraction data of MoS2 single crystals measured at the Fritz Haber Institute in Berlin. The dataset contains one experiment (measurement_1) . Theory data of MoS2: Ab initio simulations of the phonon dynamics in MoS2 single crystals performed using time-dependent Boltzmann equation (TDBE), saved in nonthermal_phonon_temperature.tar.gz. Simulations of diffuse scattering map of MoS2 based on multi-phonon scattering theory,  performed with the nonthermal phonons dynamics from TDBE, saved in simulated_diffuse_scattering.tar.gz.
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2025-03-07
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