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Samuele Giuli

Publications and source records attributed to Samuele Giuli.

8 recordsLinked to original sources

Ghost-RISB for Correlated Electron-Phonon Systems: Application to the Hubbard-Holstein Model

We develop a generalization of the ghost-rotationally-invariant slave-boson (ghost-RISB) method that incorporates local phonon modes coupled to arbitrary on-site electronic degrees of freedom, enabling a nonperturbative treatment of electron-electron and electron-phonon interactions within an efficient variational framework. The method extends the ghost-orbital construction to capture dynamical self-energy effects and phonon-induced renormalizations beyond static slave-boson approaches. Benchmarking against dynamical mean-field theory (DMFT) results for the Hubbard-Holstein model, we find excellent quantitative agreement for electron quasiparticle weights and phonon properties across a wide range of coupling strengths, and it captures accurately the competition between electron-electron and electron-phonon interactions. We show that the inclusion of the ghost orbitals is crucial to accurately describe the regime of low-frequency, strongly dynamical, phonons. The extended ghost-RISB achieves this accuracy at a fraction of the computational cost of DMFT, due to its self-consistency rooted in static observables instead of dynamical ones, enabling rapid exploration of correlated electron-phonon phase diagrams. We exploit this advantage to characterize the most demanding regime of strong coupling and adiabatic phonons. Our analysis shows a suppression of the superconducting order parameter, which is interpreted as a Franck-Condon-like reduction of the overlap between the phonon wavefunctions associated with empty and doubly-occupied sites in the bipolaronic regime.

cond-mat.str-el

Magnetic phases of the anisotropic triangular Hubbard model from the ghost-Gutzwiller approximation in the rotating spin-frame

We investigate the magnetic phase diagram of the half-filled Hubbard model on the anisotropic triangular lattice using the Gutzwiller approximation (GA) and its ghost generalization (ghost-GA). By combining a rotating spin-frame formulation with high-resolution momentum grids, we determine magnetic ground states through direct total-energy minimization over the ordering wavevector. We benchmark standard GA and ghost-GA against dynamical mean-field theory (DMFT) and dual-fermion results. We show that GA already captures the qualitative structure of the phase diagram, but systematically overestimates the stability of magnetic order due to the absence of dynamical fluctuations. We find that introducing a small number of auxiliary ''ghost'' orbitals is sufficient to recover most dynamical effects and significantly improves quantitative agreement with DMFT. Exploring the full Brillouin zone, we obtain a phase diagram comprising paramagnetic and various magnetic phases. In contrast to ladder dual-fermion susceptibility-based predictions, we find that the one-dimensional antiferromagnetic phase is never stabilized, despite being the leading instability in certain regimes. Our results establish ghost-GA as an efficient and systematically improvable framework for studying magnetism in frustrated systems, capable of achieving near-DMFT accuracy at a fraction of the computational cost. They also highlight that standard GA performs qualitatively well for capturing the general phase diagram, enabling the investigation of incommensurate magnetic orders in more complex systems.

cond-mat.str-el

Unifying Variational and Dynamical Quantum Embedding: From Ghost Gutzwiller Approximation to Dynamical Mean-Field Theory

Dynamical and variational frameworks have long been viewed as distinct paradigms. In particular, in quantum embedding (QE) frameworks, dynamical mean-field theory (DMFT) captures nonperturbative dynamical correlations through a frequency-dependent self-energy, while the Gutzwiller approximation (GA) is formulated in terms of a variationally optimized ground-state wavefunction. Here we bridge these perspectives, proving that the ghost-Gutzwiller approximation (ghost-GA), which also admits a density-matrix-matching QE formulation known as ghost density matrix embedding theory (ghost-DMET), becomes strictly equivalent to DMFT in the limit of infinitely many auxiliary bath modes. This formal unification has immediate consequences. In particular, it yields a rigorous finite-temperature extension of ghost-GA and shows that the physical Green's function can be determined from static expectation values of the embedding Hamiltonians, providing a route to computational studies of competing phases in strongly correlated matter with DMFT-level accuracy, while bypassing the need to calculate dynamical spectra with conventional impurity solvers. More broadly, it shows that the variational ghost-GA, the density-matrix-matching ghost-DMET formulation, and the dynamical DMFT description are not separate constructions, but complementary formulations of the same QE structure, thereby providing a concrete formal basis for future controlled extensions beyond DMFT.

cond-mat.str-el

Linear Foundation Model for Quantum Embedding: Data-Driven Compression of the Ghost Gutzwiller Variational Space

Simulations of quantum matter rely mainly on Kohn-Sham density functional theory (DFT), which often fails for strongly correlated systems. Quantum embedding (QE) theories address this limitation by mapping the system onto an auxiliary embedding Hamiltonian (EH) describing fragment-environment interactions, but the EH is typically large and its iterative solution is the primary computational bottleneck. We introduce a linear foundation model for QE that utilizes principal component analysis (PCA) to compress the space of quantum states needed to solve the EH within a small variational subspace. Using a data-driven active-learning scheme, we learn this subspace from EH ground states and reduce each embedding solve to a deterministic ground-state eigenvalue problem in the reduced space. Within the ghost Gutzwiller approximation (ghost-GA), we show for a three-orbital Hubbard model that a variational space learned on a Bethe lattice is transferable to square and cubic lattices without additional training, while substantially reducing the cost of the EH step. We further validate the approach on plutonium, where a single variational space reproduces the energetics of all six crystalline phases while reducing the cost of the EH solution by orders of magnitude. This provides a practical route to overcome the main computational bottleneck of QE frameworks, paving the way for high-throughput ab initio simulations of strongly correlated materials at a near-DFT cost.

cond-mat.str-el

More is uncorrelated: Tuning the local correlations of SU($N$) Fermi-Hubbard systems via controlled symmetry breaking

Cold-atom experiments based on alkali-like atoms provide us with a tool to experimentally realize Hubbard models with a large number $N$ of components. The value of $N$ can be seen as a new handle to tune the properties of the system, leading to new physics both in the case of fully SU($N$) symmetric systems, or in the presence of controlled symmetry breaking. We focus on the Mott transition at global half filling and we characterize local correlations between particles through the \emph{inter-flavor mutual information}, an experimentally accessible quantity that rigorously measures the distance from the closest gaussian state, unveiling features that cannot be accessed by conventional probes of Mottness. We prove that these correlations are fully independent from local entanglement and quantum discord, and, using Dynamical Mean-Field Theory, we show that the SU(4) system has significantly smaller correlations than the SU(2) counterpart. In the atomic limit we prove that increasing $N$ further decreases the strength of the correlations. This suggests that a controlled reduction of the symmetry, reducing the number of effective components, can be used to enhance the degree of correlation. We confirm this scenario solving the model for $N=4$ and gradually breaking the symmetry via a Raman field, revealing an evolution from the SU(4) to the SU(2) Mott transition as the symmetry-breaking term increases, with a sudden recovery of the large correlations of the SU(2) model at weak Raman coupling in the Mott state. By further exploring the interplay between energy repulsion and the Raman field, we obtain a rich phase diagram with three different phases -- a metal, a band insulator, and a Mott insulator -- all coexisting at a single tricritical point.

cond-mat.str-el

Next-generation EDIpack: A Lanczos-based package for quantum impurity models featuring general broken-symmetry phases, flexible bath topologies and multi-platform interoperability

We present a next-generation version of EDIpack, a flexible, high-performance numerical library using Lanczos-based exact diagonalization to solve generic quantum impurity problems, such as those introduced in Dynamical Mean-Field Theory to describe extended strongly correlated materials. This new release efficiently solves impurity problems allowing for different broken-symmetry solutions, including superconductivity, featuring local spin-orbit coupling and/or electron-phonon coupling. It provides quick access to dynamical correlation functions on the entire complex frequency plane at zero and low-temperatures. The modular architecture of the software not only provides Fortran APIs but also includes bindings to C/C++, interfaces with Python and Julia or with TRIQS and w2dynamics research platforms, thus ensuring unprecedented level of inter-operability. The outlook includes further extensions to study quantum materials and cold atoms quantum simulators, as well as quantum information applications.

cond-mat.str-el

Altermagnetism from interaction-driven itinerant magnetism

Altermagnetism, a new phase of collinear spin-order sharing similarities with antiferromagnets and ferromagnets, has introduced a new guiding principle for spintronic/thermoelectric applications due to its direction-dependent magnetic properties. Fulfilling the promise to exploit altermagnetism for device design depends on identifying materials with tuneable transport properties. The search for intrinsic altermagnets has so far focused on the role of anisotropy in the crystallographic symmetries and in the bandstructure. Here, we present a different mechanism that approaches this goal by leveraging the interplay between a Hubbard local repulsion and the itinerant magnetism given by the presence of van Hove singularities. We show that altermagnetism is stable for a broad range of interactions and dopings and we focus on tunability of the spin-charge conversion ratio.

cond-mat.str-el

Mott-Enhanced Exciton Condensation in a Hubbard bilayer

We study the conditions to realize an excitonic condensed phase in an electron-hole bilayer system with local Hubbard-like interactions at half-filling, where we can address the interplay with Mott localization. Using Dynamical Mean-Field Theory, we find that an excitonic state is stable in a sizeable region of a phase diagram spanned by the intra-layer (U) and inter-layer (V) interactions. The latter term is expected to favour the excitonic phase which is indeed found in a slice of the phase diagram with V > U . Remarkably, we find that when U is large enough, the excitonic region extends also for U > V in contrast with naive expectations. The extended stability of the excitonic phase can be linked to in-layer Mott localization and inter-layer spin correlations. Using a mapping to a model with attractive inter-layer coupling, we fully characterize the condensate phase in terms of its superconducting counterpart, thereby addressing its coherence and correlation length.

cond-mat.str-el