27 citations · 174 across the 15 of their papers we have counts for
4 papers · 1 filter
Electronic Localization in CaVO3 Films via Bandwidth Control
Daniel E. McNally, Xingye Lu, Jonathan Pelliciari +11
Understanding and controlling the electronic structure of thin layers of quantum materials is a crucial first step towards designing heterostructures where new phases and phenomena…
On the effect of charge self-consistency in DFT+DMFT calculations for complex transition metal oxides
Alexander Hampel, Sophie Beck, Claude Ederer
We investigate the effect of charge self-consistency (CSC) in density functional theory plus dynamical mean-field theory (DFT+DMFT) calculations compared to simpler "one-shot" calc…
Charge transfer in LaVO/LaTiO multilayers: strain-controlled dimensionality of interface metallicity between two Mott insulators
Sophie Beck, Claude Ederer
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 LaTiO and La…
Hund excitations and the efficiency of Mott solar cells
Francesco Petocchi, Sophie Beck, Claude Ederer +1
We study the dynamics of photo-induced charge carriers in realistic models of LaVO3 and YTiO3 polar heterostructures. It is shown that two types of impact ionization processes cont…