WebApr 10, 2024 · The Hubbard model was used to treat the strongly correlated electrons within the DFT + U method in the Dudarev formalism [32].An effective Hubbard U (U eff = U - J; i.e., the difference between Coulomb U and exchange J values, hereafter denoted as U) value of 2.5 eV (U = 3 eV, J = 0.5 eV) was selected for the localized 5f electrons of … WebDOI: 10.1016/j.tibs.2024.01.002 Abstract Liquid-liquid phase separation (LLPS) has emerged in recent years as an important physicochemical process for organizing diverse …
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