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cond-mat.str-el2024
Terbium under High Pressure: First-Principles Dynamical Mean-Field Theory Study
Wenjun Ding, Yogesh K. Vohra, Cheng-Chien Chen
Elemental rare-earth metals provide a playground for studying novel electron correlation effects and complex magnetism. However, ab initio simulations of these systems remain chall…
cond-mat.str-el2024★ 8 cited
First-Principles Calculation of Hubbard U for Terbium Metal under High Pressure
Logan A. Burnett, Matthew P. Clay, Yogesh K. Vohra +1
Using density functional theory (DFT) and linear response approaches, we compute the on-site Hubbard interaction of elemental Terbium (Tb) metal in the pressure range $\sim 0-6…