Designing and controlling the properties of transition metal oxide quantum materials
This Perspective addresses the design, creation, characterization and control of synthetic
quantum materials with strong electronic correlations. We show how emerging synergies …
quantum materials with strong electronic correlations. We show how emerging synergies …
Quantum embedding theories to simulate condensed systems on quantum computers
Quantum computers hold promise to improve the efficiency of quantum simulations of
materials and to enable the investigation of systems and properties that are more complex …
materials and to enable the investigation of systems and properties that are more complex …
Breakdown of the scaling relation of anomalous Hall effect in Kondo lattice ferromagnet USbTe
The interaction between strong correlation and Berry curvature is an open territory of in the
field of quantum materials. Here we report large anomalous Hall conductivity in a Kondo …
field of quantum materials. Here we report large anomalous Hall conductivity in a Kondo …
Ab initio self-energy embedding for the photoemission spectra of NiO and MnO
The accurate ab initio simulation of periodic solids with strong correlations is one of the
grand challenges of condensed matter. While mature methods exist for weakly correlated …
grand challenges of condensed matter. While mature methods exist for weakly correlated …
Portobello-Quantum embedding in correlated materials made accessible
We present a platform for quantum embedding methods, Portobello, which facilitates
efficient software development and ease of use by assimilating legacy electronic structure …
efficient software development and ease of use by assimilating legacy electronic structure …
Charge self-consistent electronic structure calculations with dynamical mean-field theory using Quantum ESPRESSO, Wannier 90 and TRIQS
We present a fully charge self-consistent implementation of dynamical mean field theory
(DMFT) combined with density functional theory (DFT) for electronic structure calculations of …
(DMFT) combined with density functional theory (DFT) for electronic structure calculations of …
Switching between Mott-Hubbard and Hund physics in Moiré quantum simulators
S Ryee, TO Wehling - Nano Letters, 2023 - ACS Publications
Mott-Hubbard and Hund electron correlations have been realized thus far in separate
classes of materials. Here, we show that a single moiré homobilayer encompasses both …
classes of materials. Here, we show that a single moiré homobilayer encompasses both …
Impact of fd Kondo cloud on superconductivity of nickelates
The discovery of superconducting nickelates reignited hope for elucidating the high-T c
superconductivity mechanism in isostructural cuprates. While the superconducting gap …
superconductivity mechanism in isostructural cuprates. While the superconducting gap …
DMFTwDFT: an open-source code combining Dynamical Mean Field Theory with various density functional theory packages
Abstract Dynamical Mean Field Theory (DMFT) is a successful method to compute the
electronic structure of strongly correlated materials, especially when it is combined with …
electronic structure of strongly correlated materials, especially when it is combined with …