263 citations · 1.3k across the 37 of their papers we have counts for
37 papers
Fingerprints of Excitonic Collective Modes in the Two-Dimensional Electron Gas
Jakob Wolff, Silvana Botti, Lucia Reining +1
The two-dimensional homogeneous electron gas (2D HEG) is a prototype system of fundamental interest that can be realized experimentally over a wide range of densities. Here, we inv…
Exciton band structure of VO
Vitaly Gorelov, Lucia Reining, Matteo Gatti
Excitonic effects due to the correlation of electrons and holes in excited states of matter dominate the optical spectra of many interesting materials. They are usually studied in…
Pseudopotential Bethe-Salpeter calculations for shallow-core x-ray absorption near-edge structures: excitonic effects in Al2O3
M. Laura Urquiza, Matteo Gatti, Francesco Sottile
We present an ab initio description of optical and shallow-core x-ray absorption spectroscopies in a unified formalism based on the pseudopotential plane-wave method at the level o…
Short-range excitonic phenomena in low-density metals
Jaakko Koskelo, Lucia Reining, Matteo Gatti
Excitonic effects in metals are commonly supposed to be weak, because the Coulomb interaction is strongly screened. We investigate the low-density regime of the homogeneous electro…
Robustness of electronic screening effects in electron spectroscopies: example of VO
Vitaly Gorelov, Lucia Reining, Walter R. L. Lambrecht +1
In bulk and low-dimensional extended systems, the screening of excitations by the electron cloud is a key feature governing spectroscopic properties. Widely used computational appr…
Accurate Kohn-Sham auxiliary system from the ground state density of solids
Ayoub Aouina, Matteo Gatti, Siyuan Chen +2
The Kohn-Sham (KS) system is an auxiliary system whose effective potential is unknown in most cases. It is in principle determined by the ground state density, and it has been foun…
Delocalization of dark and bright excitons in flat-band materials and the optical properties of VO
Vitaly Gorelov, Lucia Reining, Martin Feneberg +4
The simplest picture of excitons in materials with atomic-like localization of electrons is that of Frenkel excitons, where electrons and holes stay close together, which is associ…
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…
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…
First-principles study of excitons in the optical spectra of silver chloride
Arnaud Lorin, Matteo Gatti, Lucia Reining +1
Silver chloride is a material that has been investigated and used for many decades. Of particular interest are its optical properties, but only few fundamental theoretical studies…
Strategies to build functionals of the density, or functionals of Green's functions: what can we learn?
Ayoub Aouina, Matteo Gatti, Lucia Reining
The many-body problem can in general not be solved exactly, and one of the most prominent approximations is to build perturbation expansions. A huge variety of expansions is possib…
Insights into one-body density matrices using deep learning
Jack Wetherell, Andrea Costamagna, Matteo Gatti +1
The one-body reduced density matrix (1-RDM) of a many-body system at zero temperature gives direct access to many observables, such as the charge density, kinetic energy and occupa…
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…
Re-using model results to determine materials properties: connector theory approach
Marco Vanzini, Ayoub Aouina, Martin Panholzer +2
Computational materials design often profits from the fact that some complicated contributions are not calculated for the real material, but replaced by results of models. We turn…
Dispersing and non-dispersing satellites in the photoemission spectra of aluminum
Jianqiang Sky Zhou, Lucia Reining, Alessandro Nicolaou +9
Satellites in electronic spectra are pure many-body effects, and their study has been of increasing interest in both experiment and theory. The presence of satellites due to plasmo…
Spectroscopy of the Hubbard dimer: the spectral potential
Marco Vanzini, Lucia Reining, Matteo Gatti
The spectral potential is the dynamical generalization of the Kohn-Sham potential. It targets, in principle exactly, the spectral function in addition to the electronic density. He…
Cubic BN optical gap and intragap optically active defects
Anna Tararan, Stefano di Sabatino, Matteo Gatti +6
We report a comprehensive study on the optical properties of cubic boron nitride (c-BN) and its optically active defects. Using electron energy-loss spectroscopy (EELS) within a mo…
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…
Revisiting the origin of satellites in core level photoemission of transparent conducting oxides: the case of -doped SnO
F. Borgatti, J. A. Berger, D. Céolin +14
The longstanding problem of interpretation of satellite structures in core level photoemission spectra of metallic systems with a low density of conduction electrons is addressed u…
Cumulant Green's function calculations of plasmon satellites in bulk sodium: influence of screening and the crystal environment
Jianqiang Sky Zhou, Matteo Gatti, J. J. Kas +2
We present ab initio calculations of the photoemission spectra of bulk sodium using different flavors of the cumulant expansion approximation for the Green's function. In particula…
Dynamical local connector approximation for electron addition and removal spectra
Marco Vanzini, Lucia Reining, Matteo Gatti
Realistic calculations of electron addition and removal spectra rely most often on Green's functions and complex, non-local self-energies. We introduce a shortcut to obtain the spe…
Non-local and non-adiabatic effects in the charge-density response of solids: a time-dependent density functional approach
Martin Panholzer, Matteo Gatti, Lucia Reining
The charge-density response of extended materials is usually dominated by the collective oscillation of electrons, the plasmons. Beyond this feature, however, intriguing many-body…
Excitons in van der Waals materials: from monolayer to bulk hexagonal boron nitride
Jaakko Koskelo, Giorgia Fugallo, Mikko Hakala +3
We present a general picture of the exciton properties of layered materials in terms of the excitations of their single-layer building blocks. To this end, we derive a model excito…
Electron-energy-loss and time-dependent density functional theory study on the plasmon dispersion in 2H-NbS2
Pierluigi Cudazzo, Eric Müller, Carsten Habenicht +5
We examine the experimental and theoretical electron-energy loss spectra in 2-CuNbS and find that the 1 eV plasmon in this material does not exhibit the regular posi…