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20052026
most citedThe PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table

2.2k citations

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62 papers · 1 filter

cond-mat.str-el2025★ 3 cited

Electron-phonon-dominated charge-density-wave fluctuations in TiSe accessed by ultrafast nonequilibrium dynamics

Sotirios Fragkos, Hibiki Orio, Nina Girotto Erhardt +17

The complex phase diagram of 1T-TiSe2 consists of a charge density wave (CDW) below 200 K, and CDW fluctuations of still unknown origin at higher temperatures. Here, we use time-re…

cond-mat.str-el2025★ 3 cited

The finite-difference parquet method: Enhanced electron-paramagnon scattering opens a pseudogap

Jae-Mo Lihm, Dominik Kiese, Seung-Sup B. Lee +1

We present the finite-difference parquet method that greatly improves the applicability and accuracy of two-particle correlation approaches to interacting electron systems. This me…

cond-mat.str-el2024★ 1 cited

Kondo spectral functions at low-temperatures: A dynamical-exchange-correlation-field perspective

Zhen Zhao

We calculate the low-temperature spectral function of the symmetric single impurity Anderson model using a recently proposed dynamical exchange-correlation (xc) field formalism. Th…

cond-mat.str-el2023★ 19 cited

Local and nonlocal electronic correlations at the metal-insulator transition in the Hubbard model in two dimensions

Maria Chatzieleftheriou, Silke Biermann, Evgeny A. Stepanov

Elucidating the physics of the single-orbital Hubbard model in its intermediate coupling regime is a key missing ingredient to our understanding of metal-insulator transitions in r…

cond-mat.str-el2023★ 8 cited

On the cuprates' universal waterfall feature: evidence of a momentum-driven crossover

Benjamin Bacq-Labreuil, Chafic Fawaz, Yuichi Okazaki +13

We study two related universal anomalies of the spectral function of cuprates, so called waterfall and high-energy kink features, by a combined cellular dynamical mean-field theory…

cond-mat.str-el2023★ 11 cited

Can Orbital-Selective Néel Transitions Survive Strong Nonlocal Electronic Correlations?

Evgeny A. Stepanov, Silke Biermann

Spin- or orbital-selective behaviours in correlated electron materials offer rich promise for spintronics or orbitronics phenomena and applications deriving from them. Strong local…

cond-mat.str-el2023★ 16 cited

Doping-dependent charge- and spin-density wave orderings in a monolayer of Pb adatoms on Si(111)

Matteo Vandelli, Anna Galler, Angel Rubio +3

In this work we computed the phase diagram as a function of temperature and doping for a system of lead adatoms allocated periodically on a silicon (111) surface. This Si(111):Pb m…

cond-mat.str-el2022

Formation of CuO sublattices by suppression of interlattice correlations in tetragonal CuO

Max Bramberger, Benjamin Bacq-Labreuil, Martin Grundner +4

We investigate the tetragonal phase of the binary transition metal oxide CuO (t-CuO) within the context of cellular dynamical mean-field theory. Due to its strong antiferromagnetic…

cond-mat.str-el2021★ 18 cited

Probing electron-phonon interactions away from the Fermi level with resonant inelastic x-ray scattering

C. D. Dashwood, A. Geondzhian, J. G. Vale +16

Interactions between electrons and lattice vibrations are responsible for a wide range of material properties and applications. Recently, there has been considerable interest in th…

cond-mat.str-el2021★ 11 cited

Wigner localization in two and three dimensions: an \emph{ab initio} approach

Miguel Escobar Azor, Estefania Alves, Stefano Evangelisti +1

In this work we investigate the Wigner localization of two interacting electrons at very low density in two and three dimensions using the exact diagonalization of the many-body Ha…

cond-mat.str-el2021★ 4 cited

Dynamical screening in SrVO: Inelastic x-ray scattering experiments and ab initio calculations

Kari Ruotsalainen, Alessandro Nicolaou, Christoph J. Sahle +5

We characterize experimentally and theoretically the high-energy dielectric screening properties of the prototypical correlated metal SrVO. The dynamical structure factor measu…

cond-mat.str-el2021★ 1 cited

Intershell Interactions in Correlated Materials: A Slave Rotor Approach

Jakob Steinbauer, Silke Biermann

The treatment of intershell interactions remains a major challenge in the theoretical description of strongly correlated materials. Most previous approaches considered the influenc…

cond-mat.str-el2021★ 48 cited

Subpicosecond metamagnetic phase transition driven by non-equilibrium electron dynamics

Federico Pressacco, Davide Sangalli, Vojtěch Uhlíř +13

Femtosecond light-induced phase transitions between different macroscopic orders provide the possibility to tune the functional properties of condensed matter on ultrafast timescal…

cond-mat.str-el2021★ 16 cited

Correlated electronic structure and optical response of rare-earth-based semiconductors

Anna Galler, James Boust, Alain Demourgues +2

Simultaneous occurrence of the Mott and band gap in correlated semiconductors results in a complex optical response with the nature of the absorption edge difficult to resolve both…

cond-mat.str-el2020★ 24 cited

Intrinsically weak magnetic anisotropy of cerium in potential hard-magnetic intermetallics

Anna Galler, Semih Ener, Fernando Maccari +5

Cerium-based intermetallics are currently attracting much interest as a possible alternative to existing high-performance magnets containing scarce heavy rare-earth elements. Howev…

cond-mat.str-el2020★ 14 cited

Non-linear response in the cumulant expansion for core hole photoemission

Marilena Tzavala, Joshua J. Kas, Lucia Reining +1

Most currently used approximations for the one-particle Green's function G in the framework of many-body perturbation theory, such as Hedin's GW approximation or the cumulant GW+C…

cond-mat.str-el2020★ 7 cited

Resonant inelastic x-ray scattering study of doping and temperature dependence of low-energy excitations in LaSrVO

Kari Ruotsalainen, Matteo Gatti, James M. Ablett +5

We present a temperature and doping dependent resonant inelastic X-ray scattering experiment at the V L and O K edges in LaSrVO for and . This…

cond-mat.str-el2019★ 82 cited

Parameter-free hybrid functional based on an extended Hubbard model: DFT+U+V

Nicolas Tancogne-Dejean, Angel Rubio

In this article, we propose an energy functional at the level of DFT+U+V that allows us to compute self-consistently the values of the on-site interaction, Hubbard U and Hund J, as…

cond-mat.str-el2019★ 11 cited

Nature of the Doping-Driven Metal-Insulator Transition in Correlated Electron Systems with strong Hund's Exchange Coupling

Jakob Steinbauer, Luca de' Medici, Silke Biermann

We study the doping-driven Mott metal-insulator transition for multi-orbital Hubbard models with Hund's exchange coupling at finite temperatures. As in the single-orbital Hubbard m…

cond-mat.str-el2019★ 18 cited

A Wigner molecule at extremely low densities: a numerically exact study

Miguel Escobar Azor, Léa Brooke, Stefano Evangelisti +4

In this work we investigate Wigner localization at very low densities by means of the exact diagonalization of the Hamiltonian. This yields numerically exact results. In particular…

cond-mat.str-el2019★ 18 cited

Magnetization density distribution of SrIrO: Deviation from a local picture

Jaehong Jeong, Benjamin Lenz, Arsen Gukasov +10

iridium oxides are of huge interest due to the potential for new quantum states driven by strong spin-orbit coupling. The strontium iridate SrIrO is particularly in th…

cond-mat.str-el2018★ 37 cited

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

W. H. Appelt, A. Droghetti, L. Chioncel +5

Stable organic radicals integrated into molecular junctions represent a practical realization of the single-orbital Anderson impurity model. Motivated by recent experiments for per…

cond-mat.str-el2018★ 1 cited

Laser induced phase transition in epitaxial FeRh layers studied by pump-probe valence band photoemission

Federico Pressacco, Vojtěch Uhlíř, Matteo Gatti +7

We use time-resolved X-ray photoelectron spectroscopy to probe the electronic and magnetization dynamics in FeRh films after ultrafast laser excitations. We present experimental an…

cond-mat.str-el2018★ 3 cited

Nonequilibrium Kondo-vs-RKKY Scenarios in Nanoclusters

S. Ydman, M. Hopjan, C. Verdozzi

Ultrafast manipulations of magnetic phases are eliciting increasing attention from the scientific community, because potentially relevant to the understanding of nonequilibrium pha…