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

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.二硫化钼（MoS₂）实验数据集： 柏林弗里茨·哈伯研究所（Fritz Haber Institute）测得的二硫化钼单晶飞秒电子衍射（femtosecond electron diffraction）实验数据。本数据集包含一组实验（measurement_1）。 二硫化钼理论数据集： 采用含时玻尔兹曼方程（time-dependent Boltzmann equation, TDBE）开展的二硫化钼单晶声子动力学从头算模拟，结果存储于nonthermal_phonon_temperature.tar.gz。 基于多声子散射理论，结合含时玻尔兹曼方程得到的非热声子动力学参数开展的二硫化钼漫散射图模拟，结果存储于simulated_diffuse_scattering.tar.gz。