机译:Strongly Anharmonic Phonons and Their Role in Superionic Diffusion and Ultralow Thermal Conductivity of Cu_7PSe_6
Duke Univ, Dept Mech Engn & Mat Sci, Durham, NC 27708 USA;
Indian Inst Technol, Dept Mech Engn, Mumbai 400076, Maharashtra, India;
Oak Ridge Natl Lab, Neutron Scattering Div, POB 2009, Oak Ridge, TN 37831 USAUniv Munster, Inst Anorgan & Analyt Chem, D-48149 Munster, GermanyDuke Univ, Dept Mech Engn & Mat Sci, Durham, NC 27708 USA|Duke Univ, Dept Chem, Durham, NC 27708 USA|Duke Univ, Dept Phys, Durham, NC 27708 USA;
first-principles simulations; lattice dynamics; machine learning; molecular dynamics; neutron scattering; superionic diffusion; ultralow thermal conductivity;