Dataset - B2FIND

Probing the Mott-insulating behavior of Ba₂MgReO₆ with DFT+DMFT

We investigate the interplay of spin-orbit coupling, electronic correlations, and lattice distortions in the 5d¹ double perovskite Ba₂MgReO₆. Combining density-functional theory...
Calculation of screened Coulomb interaction parameters for the charge-disprop...

We calculate the screened electron-electron interaction for the charge-disproportionated insulator CaFeO₃ using the constrained random-phase approximation (cRPA). While in many...

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2 datasets found