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Heterogeneous Ta-dichalcogenide bilayer: heavy fermions or doped Mott physics?
Controlling and understanding electron correlations in quantum matter is one of the most challenging tasks in materials engineering. In the past years a plethora of new puzzling... -
Energetics of the coupled electronic–structural transition in the rare-earth ...
Rare-earth nickelates exhibit a metal–insulator transition accompanied by a structural distortion that breaks the symmetry between formerly equivalent Ni sites. The quantitative... -
Charge transfer in LaVO3/LaTiO3 multilayers: Strain-controlled dimensionality...
We use density-functional theory plus dynamical mean-field theory to demonstrate the emergence of a metallic layer at the interface between the two Mott insulators LaTiO3 and... -
Effect of charge self-consistency in DFT+DMFT calculations for complex transi...
We investigate the effect of charge self-consistency (CSC) in density-functional theory plus dynamical mean-field theory calculations compared to simpler “one-shot” calculations... -
Screening from eg states and antiferromagnetic correlations in d(1,2,3) perov...
We perform a systematic ab initio study of the electronic structure of Sr(V,Mo,Mn)O3 perovskites, using the parameter-free GW+EDMFT method. This approach self-consistently... -
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... -
Normal State of Nd_(1-x)Sr_xNiO2 from Self-Consistent GW+EDMFT
Superconductivity with a remarkably high Tc has recently been observed in hole-doped NdNiO2, a material that shares similarities with the high-Tc cuprates. This discovery...
