27 citations · 174 across the 15 of their papers we have counts for
16 papers
Engineering Correlated Transparent Conductors via Metal-Insulator Transition Proximity
Amit Cohen, Nofar Tuval, Maria Baskin +5
Transparent conductors are key functional materials in modern optoelectronic devices. Their performance is governed by an inherent trade-off between optical transparency and electr…
Bridging constrained random-phase approximation and linear response theory for computing Hubbard parameters
Alberto Carta, Iurii Timrov, Sophie Beck +1
The predictive accuracy of popular extensions to density-functional theory (DFT) such as DFT+U and DFT plus dynamical mean-field theory (DFT+DMFT) hinges on using realistic values…
Competition between d-wave superconductivity and magnetism in uniaxially strained Sr2RuO4
Jonas B. Profe, Sophie Beck, Dante M. Kennes +2
The pairing symmetry of SrRuO is a long-standing fundamental question in the physics of superconducting materials with strong electronic correlations. We use the functional…
Signatures of Hund Metal and finite-frequency nesting in SrRuO Revealed by Electronic Raman Scattering
Germán Blesio, Sophie Beck, Olivier Gingras +2
We investigate the electronic Raman scattering of SrRuO using a material-realistic dynamical mean-field theory approach. We identify the low-energy Fermi liquid behavior an…
Low rank Green's function representations applied to dynamical mean-field theory
Nan Sheng, Alexander Hampel, Sophie Beck +4
Several recent works have introduced highly compact representations of single-particle Green's functions in the imaginary time and Matsubara frequency domains, as well as efficient…
Interfacial doping in LaVO/SrVO multilayers from DFT+DMFT
Sophie Beck, Claude Ederer
We investigate the effect of spatial doping of the Mott insulator LaVO by inserting a few layers of the correlated metal SrVO in multilayer geometries. Using density functi…
Automatic, high-order, and adaptive algorithms for Brillouin zone integration
Jason Kaye, Sophie Beck, Alex Barnett +2
We present efficient methods for Brillouin zone integration with a non-zero but possibly very small broadening factor , focusing on cases in which downfolded Hamiltonians can be…
Training biases in machine learning for the analytic continuation of quantum many-body Green's functions
Rong Zhang, Maximilian E. Merkel, Sophie Beck +1
We address the problem of analytic continuation of imaginary-frequency Green's functions, which is crucial in many-body physics, using machine learning based on a multi-level resid…
The effects of strain in multi-orbital superconductors: the case of SrRuO
Sophie Beck, Alexander Hampel, Manuel Zingl +2
Uniaxial strain experiments have become a powerful tool to unveil the character of unconventional phases of electronic matter. Here we propose a combination of the superconducting…
Charge self-consistent electronic structure calculations with dynamical mean-field theory using Quantum ESPRESSO, Wannier90 and TRIQS
Sophie Beck, Alexander Hampel, Olivier Parcollet +2
We present a fully charge self-consistent implementation of dynamical mean field theory (DMFT) combined with density functional theory (DFT) for electronic structure calculations o…
Multilayer engineering of CaVO thin films with SrTiO and LaAlO from DFT+DMFT
Sophie Beck, Claude Ederer
In this paper we use density functional theory combined with dynamical mean-field theory (DFT+DMFT) to study interface effects between thin films of the correlated metal CaVO a…
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…
Metal-insulator transition in CaVO thin films: interplay between epitaxial strain, dimensional confinement, and surface effects
Sophie Beck, Gabriele Sclauzero, Uday Chopra +1
We use density functional theory plus dynamical mean-field theory (DFT+DMFT) to study multiple control parameters for tuning the metal-insulator transition (MIT) in CaVO thin f…