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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... -
Distortion mode anomalies in bulk PrNiO3: Illustrating the potential of symme...
The origin of the metal-to-insulator transition (MIT) in RNiO3 perovskites with R = trivalent 4 f ion has challenged the condensed matter research community for almost three... -
Charge disproportionation and Hund's insulating behavior in a five-orbital Hu...
We explore the transition to a charge-disproportionated insulating phase in a five-orbital cubic tight-binding model applicable to transition-metal perovskites with a formal d^4... -
Tailoring interfacial properties in CaVO3 thin films and heterostructures wit...
In this paper we use density functional theory combined with dynamical mean-field theory (DFT+DMFT) to study interface effects between the correlated metal CaVO3 and the two...