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20052023
most citedThe PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table

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cond-mat.mtrl-sci2023

Large and tunable spin-orbit effect of 6p orbitals through structural cavities in crystals

Mauro Fava, William Lafargue-Dit-Hauret, Aldo H. Romero +1

We explore from first-principles calculations the ferroelectric material Pb5Ge3O11 as a model for controlling the spin-orbit interaction (SOC) in crystalline solids. The SOC has a…