arXiv subjects

E. Arrigoni

Publications and source records attributed to E. Arrigoni.

At least 19 recordsLinked to original sources

arXiv2026

Scientific performances of the XGIS instrument on-board THESEUS

The Transient High Energy Sky and Early Universe Surveyor (THESEUS) satellite, currently undergoing a Phase-A study for the M7 ESA mission selection, will mainly rely on the XGIS (X and Gamma Imaging Spectrometer) instrument to discover and precisely localise gamma-ray bursts and other high-energy transients. The XGIS instrument has been designed to provide accurate sky images in a wide field of view (>2 steradians) in the 2-150 keV band, coupled to coverage of nearly half of the sky with good timing and spectroscopic capabilities up to several MeV. This will be achieved thanks to the combination of two identical cameras, based on the coded mask imaging technique, oriented to provide partially overlapping fields of view. We present the capabilities of the XGIS, focussing in particular on the sensitivity and source location accuracy. We discuss the expected scientific advances in the GRB field, estimated through detailed Monte-Carlo simulations which take into account the design of the XGIS imaging system and the properties of the GRB population at high redshifts.

astro-ph.IM↗

arXiv2023

Auxiliary master equation approach to the Anderson-Holstein impurity problem out of equilibrium

We introduce a method based on auxiliary master equation for solving the problem of an impurity with local electron-electron and electron-phonon interaction embedded between two conduction leads with a finite bias voltage. The Anderson-Holstein Hamiltonian is transformed to a corresponding Lindblad equation with a reduced set of sites providing an optimal approximation of the hybridization function. The problem is solved in the superfermion representation using configuration interaction for fermions and bosons. The phonon basis is shifted and rotated with the intention of permitting a low phonon basis cutoff even in the strong-coupling regime. We benchmark this approach with the numerical renormalization group in equilibrium, finding excellent agreement. We observe, however, that the rotation brings no advantage beyond the bare shift. This is even more apparent out of equilibrium, where issues in convergence with respect to the size of the phononic Hilbert space occur only in the rotated basis. As an application of the method, we explore the evolution of the phononic peak in the differential conductance spectra with changing phonon frequency.

cond-mat.str-el↗

arXiv2022

Configuration interaction based nonequilibrium steady state impurity solver

We present a solver for correlated impurity problems out of equilibrium based on a combination of the so-called auxiliary master equation approach (AMEA) and the configuration interaction expansion. Within AMEA one maps the original impurity model onto an auxiliary open quantum system with a restricted number of bath sites which can be addressed by numerical many-body approaches such as Lanczos/Arnoldi exact diagonalization (ED) or matrix product states (MPS). While the mapping becomes exponentially more accurate with increasing number of bath sites, ED implementations are severely limited due to the fast increase of the Hilbert space dimension for open systems, and the MPS solver typically requires rather long runtimes. Here, we propose to adopt a configuration interaction approach augmented by active space extension to solve numerically the correlated auxiliary open quantum system. This allows access to a larger number of bath sites at lower computational costs than for plain ED. We benchmark the approach with numerical renormalization group results in equilibrium and with MPS out of equilibrium. In particular, we evaluate the current, the conductance as well as the Kondo peak and its splitting as a function of increasing bias voltage below the Kondo temperature TK. We obtain a rather accurate scaling of the conductance as a function of the bias voltage and temperature rescaled by TK for moderate to strong interactions in a wide range of parameters. The approach combines the fast runtime of ED with an accuracy close to the one achieved by MPS making it an attractive solver for nonequilibrium dynamical mean field theory.

cond-mat.str-el↗

arXiv2022

Correlated Mott insulators in strong electric fields: Role of phonons in heat dissipation

We study the spectral and transport properties of a Mott insulator driven by a static electric field into a non-equilibrium steady state. For the dissipation, we consider two mechanisms: Wide-band fermion reservoirs and phonons included within the Migdal approximation. The electron correlations are treated via non-equilibrium dynamical mean field theory with an impurity solver suitable for strong correlations. We find that dissipation via phonons is limited to restricted ranges of field values around Wannier-Stark resonances. To cover the full range of field strengths, we allow for a small coupling with fermionic baths, which stabilizes the solution. When considering both dissipation mechanisms, we find that phonons enhance the current for field strengths close to half of the gap while lowering it at the gap resonance as compared to the purely electronic dissipation used by Murakami and Werner [arXiv:1804.08257]. Once phonons are the only dissipation mechanism, the current in the metallic phase is almost one order of magnitude smaller than the typical values obtained by coupling to a fermionic bath. In this case, the transport regime is characterized by an accumulation of charge in the upper Hubbard band described by two effective chemical potentials.

cond-mat.str-el↗

arXiv2017

First-principles molecular transport calculation for the benzenedithiolate molecule

A first-principles approach based on Density Functional Theory and Non-Equilibrium Green's functions is used to study the molecular transport system consisting of benzenedithiolate connected with monoatomic gold and platinum electrodes. Using symmetry arguments we explain why the conductance mechanism is different for gold and platinum electrodes. We present the charge stability diagram for the benzenedithiolate connected with monoatomic platinum electrodes including many-body effects in terms of an extended Hubbard Hamiltonian and discuss how the electrodes and the many-body effects influence the transport properties of the system.

cond-mat.mes-hall↗

arXiv2014

Fate of the false Mott-Hubbard transition in two dimensions

We have studied the impact of non-local electronic correlations at all length scales on the Mott-Hubbard metal-insulator transition in the unfrustrated two-dimensional Hubbard model. Combining dynamical vertex approximation, lattice quantum Monte-Carlo and variational cluster approximation, we demonstrate that scattering at long-range fluctuations, i.e., Slater-like paramagnons, opens a spectral gap at weak-to-intermediate coupling -- irrespectively of the preformation of localized or short-ranged magnetic moments. This is the reason, why the two-dimensional Hubbard model is insulating at low enough temperatures for any (finite) interaction and no Mott-Hubbard transition is observed.

cond-mat.str-el↗

arXiv2011

Strong enhancement of d-wave superconducting state in the three-band Hubbard model coupled to an apical oxygen phonon

We study the hole binding energy and pairing correlations in the three-band Hubbard model coupled to an apical oxygen phonon, by exact diagonalization and constrained-path Monte Carlo simulations. In the physically relevant charge-transfer regime, we find that the hole binding energy is strongly enhanced by the electron-phonon interaction, which is due to a novel potential-energy-driven pairing mechanism involving reduction of both electronic potential energy and phonon related energy. The enhancement of hole binding energy, in combination with a phonon-induced increase of quasiparticle weight, leads to a dramatic enhancement of the long-range part of d-wave pairing correlations. Our results indicate that the apical oxygen phonon plays a significant role in the superconductivity of high-$T_c$ cuprates.

cond-mat.str-el↗

arXiv2010

Electronic correlations in short period (CrAs)$_n$/(GaAs)$_n$ ferromagnetic heterostructures

We investigate half-metallicity in [001] stacked (CrAs)$_n$/(GaAs)$_n$ heterostructures with $n \leq 3$ by means of a combined many-body and electronic structure calculation. Interface states in the presence of strong electronic correlations are discussed for the case $n=1$. For $n=2,3$ our results indicate that the minority spin half-metallic gap is suppressed by local correlations at finite temperatures, and continuously shrinks upon increasing the heterostructure period. Although around room temperature the magnetization of the heterostructure deviates by only $2%$ from the ideal integer value, finite temperature polarization at $E_F$ is reduced by at least $25%$. Below the Fermi level the minority spin highest valence states are found to localize more on the GaAs layers while lowest conduction states have a many-body origin. Our results, therefore, suggest that in these heterostructures holes and electrons remain separated among different layers.

cond-mat.mtrl-sci↗

arXiv2010

The 3-Band Hubbard-Model versus the 1-Band Model for the high-Tc Cuprates: Pairing Dynamics, Superconductivity and the Ground-State Phase Diagram

One central challenge in high-$T_c$ superconductivity (SC) is to derive a detailed understanding for the specific role of the $Cu$-$d_{x^2-y^2}$ and $O$-$p_{x,y}$ orbital degrees of freedom. In most theoretical studies an effective one-band Hubbard (1BH) or t-J model has been used. Here, the physics is that of doping into a Mott-insulator, whereas the actual high-$T_c$ cuprates are doped charge-transfer insulators. To shed light on the related question, where the material-dependent physics enters, we compare the competing magnetic and superconducting phases in the ground state, the single- and two-particle excitations and, in particular, the pairing interaction and its dynamics in the three-band Hubbard (3BH) and 1BH-models. Using a cluster embedding scheme, i.e. the variational cluster approach (VCA), we find which frequencies are relevant for pairing in the two models as a function of interaction strength and doping: in the 3BH-models the interaction in the low- to optimal-doping regime is dominated by retarded pairing due to low-energy spin fluctuations with surprisingly little influence of inter-band (p-d charge) fluctuations. On the other hand, in the 1BH-model, in addition a part comes from "high-energy" excited states (Hubbard band), which may be identified with a non-retarded contribution. We find these differences between a charge-transfer and a Mott insulator to be renormalized away for the ground-state phase diagram of the 3BH- and 1BH-models, which are in close overall agreement, i.e. are "universal". On the other hand, we expect the differences - and thus, the material dependence to show up in the "non-universal" finite-T phase diagram ($T_c$-values).

cond-mat.supr-con↗

arXiv2010

Model for the Magnetic Order and Pairing Channels in Fe Pnictide Superconductors

A two-orbital model for Fe-pnictide superconductors is investigated using computational techniques on two-dimensional square clusters. The hopping amplitudes are derived from orbital overlap integrals, or by band structure fits, and the spin frustrating effect of the plaquette-diagonal Fe-Fe hopping is remarked. A spin 'striped' state is stable in a broad range of couplings in the undoped regime, in agreement with neutron scattering. Adding two electrons to the undoped ground state of a small cluster, the dominant pairing operators are found. Depending on parameters, two pairing operators were identified: they involve inter-xz-yz orbital combinations forming spin singlets or triplets, transforming according to the B_2g and A_2g representations of the D_4h group, respectively.

cond-mat.str-el↗

arXiv2010

Theory of two-particle excitations and the magnetic susceptibility in high-Tc cuprate superconductors

Two-particle (2-p) excitations such as spin and charge excitations play a key role in high-Tc cuprate superconductors (HTSC). On the basis of a parameter-free theory, which extends the Variational Cluster Approach (a recently developed embedded cluster method) to 2-p excitations, the magnetic excitations of HTSC are shown to be reproduced for a Hubbard model within the relevant strong-coupling regime. In particular, the resonance mode in the underdoped regime, its intensity and "hour-glass" dispersion are in good overall agreement with experiments.

cond-mat.str-el↗

arXiv2010

Rare-earth impurities in Co$_2$MnSi: an opportunity to improve Half-Metallicity at finite temperatures

We analyse the effects of doping Holmium impurities into the full-Heusler ferromagnetic alloy Co$_2$MnSi. Experimental results, as well as theoretical calculations within Density Functional Theory in the "Local Density Approximation plus Hubbard U" framework show that the holmium moment is aligned antiparallely to that of the transition metal atoms. According to the electronic structure calculations, substituting Ho on Co sites introduces a finite density of states in the minority spin gap, while substitution on the Mn sites preserves the half-metallic character.

cond-mat.mtrl-sci↗

arXiv2009

Half-metallicity in NiMnSb: a Variational Cluster Approach with ab-initio parameters

Electron correlation effects in the half-metallic ferromagnet NiMnSb are investigated within a combined density functional and many-body approach. Starting from a realistic multi-orbital Hubbard-model including Mn and Ni-d orbitals, the many-body problem is addressed via the Variational Cluster Approach. The density of states obtained in the calculation shows a strong spectral weight transfer towards the Fermi level in the occupied conducting majority spin channel with respect to the uncorrelated case, as well as states with vanishing quasiparticle weight in the minority spin gap. Although the two features produce competing effects, the overall outcome is a strong reduction of the spin polarisation at the Fermi level with respect to the uncorrelated case. This result emphasizes the importance of correlation in this material.

cond-mat.str-el↗

arXiv2009

Dispersive spectrum and orbital order of spinless p-band fermions in an optical lattice

We study single-particle properties of a spinless p-band correlated fermionic gas in an optical lattice by means of a variational cluster approach (VCA). The single-particle spectral function is almost flat at half-filling and develops a strongly dispersive behavior at lower fillings. The competition between different orbital orderings is studied as a function of filling. We observe that an ``antiferromagnetic'' orbital order develops at half-filling and is destroyed by doping the system evolving into a disordered orbital state. At low filling limit, we discuss the possibility of ``ferromagnetic'' orbital order by complementing the VCA result with observations based on a trial wave function. We also study the behavior of the momentum distribution for different values of the on-site interaction. Finally, we introduce an integration contour in the complex plane which allows to efficiently carry out Matsubara-frequency sums.

cond-mat.str-el↗

arXiv2009

Titanium Nitride - a correlated metal at the threshold of a Mott transition

We investigate electron correlation effects in stoichiometric Titanium Nitride (TiN) using a combination of electronic structure and many-body calculations. In a first step, the Nth-order muffin tin orbital technique is used to obtain parameters for the low-energy Hamiltonian in the Ti-d(t2g)-band manifold. The Coulomb-interaction U and the Hund's rule exchange parameter J are estimated using a constrained Local-Density-Approximation calculation. Finally, the many-body problem is solved within the framework of the Variational Cluster Approach. Comparison of our calculations with different spectroscopy results stresses the importance of electronic correlation in this material. In particular, our results naturally explain a suppression of the TiN density of states at the Fermi level (pseudogap) in terms of the proximity to a Mott metal-insulator transition.

cond-mat.str-el↗

arXiv2009

Majority-spin non-quasiparticle states in half-metallic ferrimagnet Mn$_2$VAl

The density of non-quasiparticle states in the ferrimagnetic full-Heuslers Mn$_2$VAl alloy is calculated from first principles upon appropriate inclusion of correlations. In contrast to most half-metallic compounds, this material displays an energy gap in the majority-spin spectrum. For this situation, non-quasiparticle states are located below the Fermi level, and should be detectable by spin-polarized photoemission. This opens a new way to study many-body effects in spintronic-related materials.

cond-mat.mtrl-sci↗

arXiv2009

Phase diagram and single-particle spectrum of CuO$_2$ layers within a variational cluster approach to the 3-band Hubbard model

We carry out a detailed numerical study of the three-band Hubbard model in the underdoped region both in the hole- as well as in the electron-doped case by means of the variational cluster approach. Both the phase diagram and the low-energy single-particle spectrum are very similar to recent results for the single-band Hubbard model with next-nearest-neighbor hoppings. In particular, we obtain a mixed antiferromagnetic+superconducting phase at low doping with a first-order transition to a pure superconducting phase accompanied by phase separation. In the single-particle spectrum a clear Zhang-Rice singlet band with an incoherent and a coherent part can be seen, in which holes enter upon doping around $(π/2,π/2)$. The latter is very similar to the coherent quasi-particle band crossing the Fermi surface in the single-band model. Doped electrons go instead into the upper Hubbard band, first filling the regions of the Brillouin zone around $(π,0)$. This fact can be related to the enhanced robustness of the antiferromagnetic phase as a function of electron doping compared to hole doping.

cond-mat.str-el↗

arXiv2008

Non-quasiparticle states in Co$_2$MnSi evidenced through magnetic tunnel junction spectroscopy measurements

We investigate the effects of electronic correlations in the full-Heusler Co$_2$MnSi, by combining a theoretical analysis of the spin-resolved density of states with tunneling-conductance spectroscopy measurements using Co$_2$MnSi as electrode. Both experimental and theoretical results confirm the existence of so-called non-quasiparticle states and their crucial contribution to the finite-temperature spin polarisation in this material.

cond-mat.str-el↗