Strongly Anharmonic Phonons and Their Role in Superionic Diffusion and Ultralow Thermal Conductivity of Cu7PSe6
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Date
2022
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Keywords
first-principles simulations, lattice dynamics, machine learning, molecular dynamics, neutron scattering, superionic di.usion, ultralow thermal conductivity
Source
Advanced Energy Materials, 2022. Vol. 12: Article no. 2200596