Dynamical mean-field theory of strongly correlated electron systems

D Vollhardt - Proceedings of the International Conference on …, 2020 - journals.jps.jp
Dynamical Mean-Field Theory (DMFT) has opened new perspectives for the investigation of
strongly correlated electron systems and greatly improved our understanding of correlation …

Enhancing electron correlation at a 3d ferromagnetic surface

DM Janas, A Droghetti, S Ponzoni… - Advanced …, 2023 - Wiley Online Library
Spin‐resolved momentum microscopy and theoretical calculations are combined beyond
the one‐electron approximation to unveil the spin‐dependent electronic structure of the …

Dynamic spin filtering at the Co/Alq3 interface mediated by weakly coupled second layer molecules

A Droghetti, P Thielen, I Rungger, N Haag… - Nature …, 2016 - nature.com
Spin filtering at organic-metal interfaces is often determined by the details of the interaction
between the organic molecules and the inorganic magnets used as electrodes. Here we …

Dynamical mean-field theory for spin-dependent electron transport in spin-valve devices

A Droghetti, MM Radonjić, L Chioncel, I Rungger - Physical Review B, 2022 - APS
We present a combination of density functional theory and dynamical mean-field theory
(DMFT) for computing the electron transmission through two-terminal nanoscale devices …

Quantum transport simulation scheme including strong correlations and its application to organic radicals adsorbed on gold

A Droghetti, I Rungger - Physical Review B, 2017 - APS
We present a computational method to quantitatively describe the linear-response
conductance of nanoscale devices in the Kondo regime. This method relies on a projection …

method for electron correlation effects at transition metal surfaces

A Droghetti, MM Radonjić, A Halder, I Rungger… - Physical Review B, 2022 - APS
We present a computational approach for electronically correlated metallic surfaces and
interfaces, which combines density functional and dynamical mean-field theory using a …

Predicting the conductance of strongly correlated molecules: the Kondo effect in perchlorotriphenylmethyl/Au junctions

WH Appelt, A Droghetti, L Chioncel, MM Radonjić… - Nanoscale, 2018 - pubs.rsc.org
Stable organic radicals integrated into molecular junctions represent a practical realization
of the single-orbital Anderson impurity model. Motivated by recent experiments for …

Half-Metallic Transport and Spin-Polarized Tunneling through the van der Waals Ferromagnet Fe4GeTe2

A Halder, D Nell, A Sihi, A Bajaj, S Sanvito… - Nano Letters, 2024 - ACS Publications
We examine the coherent spin-dependent transport properties of the van der Waals (vdW)
ferromagnet Fe4GeTe2 using density functional theory combined with the nonequilibrium …

Non-equilibrium Green's function methods for spin transport and dynamics

I Rungger, A Droghetti, M Stamenova - Handbook of Materials Modeling …, 2020 - Springer
The modeling of spintronic devices is a theoretical challenge, since one has to describe
accurately both the electronic structure of the constituent materials and their charge-and spin …

[HTML][HTML] Stability of destructive quantum interference antiresonances in electron transport through graphene nanostructures

A Valli, T Fabian, F Libisch, R Stadler - Carbon, 2023 - Elsevier
We investigate the stability of destructive quantum interference (DQI) in electron transport
through graphene nanostructures connected to source and drain electrodes. The fingerprint …