arXiv subjects

A. Amaricci

Publications and source records attributed to A. Amaricci.

At least 19 recordsLinked to original sources

arXiv2024

Thermodynamic Stability at the Two-Particle Level

We show how the stability conditions for a system of interacting fermions that conventionally involve variations of thermodynamic potentials can be rewritten in terms of one- and two-particle correlators. We illustrate the applicability of this alternative formulation in a multi-orbital model of strongly correlated electrons at finite temperatures, inspecting the lowest eigenvalues of the generalized local charge susceptibility in proximity of the phase-separation region. Additionally to the conventional unstable branches, we address unstable solutions possessing a positive, rather than negative compressibility. Our stability conditions require no derivative of free energy functions with conceptual and practical advantages for actual calculations and offer a clear-cut criterion for analyzing the thermodynamics of correlated complex systems.

cond-mat.str-el↗

arXiv2022

Exciton condensation in strongly correlated quantum spin Hall insulators

Time reversal symmetric topological insulators are generically robust with respect to weak local interaction, unless symmetry breaking transitions take place. Using dynamical mean-field theory we solve an interacting model of quantum spin Hall insulators and show the existence, at intermediate coupling, of a symmetry breaking transition to a non-topological insulator characterised by exciton condensation. This transition is of first order. For a larger interaction strength the insulator evolves into a Mott one. The transition is continuous if magnetic order is prevented, and notably, for any finite Hund's exchange it progresses through a Mott localization before the condensate coherence is lost. We show that the correlated excitonic state corresponds to a magneto-electric insulator which allows for direct experimental probing. Finally, we discuss the fate of the helical edge modes across the excitonic transition.

cond-mat.str-el↗

arXiv2022

EDIpack: A parallel exact diagonalization package for quantum impurity problems

We present EDIpack, an exact diagonalization package to solve generic quantum impurity problems. The algorithm includes a generalization of the look-up method introduced in [Lin, Gubernatis Comput. Phys., 7 (4) (1993), 400] and enables a massively parallel execution of the matrix-vector linear operations required by Lanczos and Arnoldi algorithms. We show that a suitable Fock basis organization is crucial to optimize the inter-processors communication in a distributed memory setup and to reach sub-linear scaling in sufficiently large systems. We discuss the algorithm in details indicating how to deal with multiple orbitals and electron-phonon coupling. Finally, we outline the download, installation and functioning of the package.

physics.comp-ph↗

arXiv2021

Competing Correlated Insulators in multi-orbital systems coupled to phonons

We study the interplay between electron-electron interaction and a Jahn-Teller phonon coupling in a two-orbital Hubbard model. We demonstrate that the e-ph interaction coexists with the Mott localization driven by the Hubbard repulsion U, but it competes with the Hund's coupling J. This interplay leads to two spectacularly different Mott insulators, a standard high-spin Mott insulator with frozen phonons which is stable when the Hund's coupling prevails, and a low-spin Mott-bipolaronic insulator favoured by phonons, where the characteristic features of Mott insulators and bipolarons coexist. The two phases are separated by a sharp boundary along which an intriguing intermediate solution emerges as a kind of compromise between the two solutions.

cond-mat.str-el↗

arXiv2021

Tuning Dirac nodes with correlated d-electrons in BaCo_{1-x}Ni_{x}S_{2}

Dirac fermions play a central role in the study of topological phases, for they can generate a variety of exotic states, such as Weyl semimetals and topological insulators. The control and manipulation of Dirac fermions constitute a fundamental step towards the realization of novel concepts of electronic devices and quantum computation. By means of ARPES experiments and ab initio simulations, here we show that Dirac states can be effectively tuned by doping a transition metal sulfide, BaNiS2, through Co/Ni substitution. The symmetry and chemical characteristics of this material, combined with the modification of the charge transfer gap of BaCo_{1-x}Ni_{x}S_{2} across its phase diagram, lead to the formation of Dirac lines whose position in k-space can be displaced along the Gamma M symmetry direction, and their form reshaped. Not only does the doping x tailor the location and shape of the Dirac bands, but it also controls the metal-insulator transition in the same compound, making BaCo_{1-x}Ni_{x}S_{2} a model system to functionalize Dirac materials by varying the strength of electron correlations.

cond-mat.str-el↗

arXiv2020

Non-Local Annihilation of Weyl Fermions in Correlated Systems

Weyl semimetals (WSMs) are characterized by topologically stable pairs of nodal points in the band structure, that typically originate from splitting a degenerate Dirac point by breaking symmetries such as time reversal or inversion symmetry. Within the independent electron approximation, the transition between an insulating state and a WSM requires the local creation or annihilation of one or several pairs of Weyl nodes in reciprocal space. Here, we show that strong electron-electron interactions may qualitatively change this scenario. In particular, we reveal that the transition to a Weyl semi-metallic phase can become discontinuous, and, quite remarkably, pairs of Weyl nodes with a finite distance in momentum space suddenly appear or disappear in the spectral function. We associate this behavior to the buildup of strong many-body correlations in the topologically non-trivial regions, manifesting in dynamical fluctuations in the orbital channel. We also highlight the impact of electronic correlations on the Fermi arcs.

cond-mat.str-el↗

arXiv2018

Emergent $\text{D}_6$ symmetry in fully-relaxed magic-angle twisted bilayer graphene

We present a tight-binding calculation of a twisted bilayer graphene at magic angle $θ\sim 1.08^\circ$, allowing for full, in- and out-of-plane, relaxation of the atomic positions. The resulting band structure displays as usual four narrow mini bands around the neutrality point, well separated from all other bands after the lattice relaxation. A thorough analysis of the mini-bands Bloch functions reveals an emergent $D_6$ symmetry, despite the lack of any manifest point group symmetry in the relaxed lattice. The Bloch functions at the $Γ$ point are degenerate in pairs, reflecting the so-called valley degeneracy. Moreover, each of them is invariant under C$_{3z}$, i.e., transforming like one-dimensional, in-plane symmetric irreducible representation of an "emergent" $D_6$ group. Out of plane, the lower doublet is even under C$_{2x}$, while the upper doublet is odd, which implies that at least eight Wannier orbitals, two $s$-like and two $p_z$-like for each of the two supercell sublattices AB and BA are necessary, probably not sufficient, to describe the four mini bands. This unexpected one-electron complexity is likely to play an important role in the still unexplained metal-insulator-superconductor phenomenology of this system.

cond-mat.str-el↗

arXiv2018

Coexistence of metallic edge states and anti-ferromagnetic ordering in correlated topological insulators

We investigate the emergence of anti-ferromagnetic ordering and its effect on the helical edge states in a quantum spin Hall insulator, in the presence of strong Coulomb interaction. Using dynamical mean-field theory, we show that the breakdown of lattice translational symmetry favours the formation of magnetic ordering with non-trivial spatial modulation. The onset of a non-uniform magnetization enables the coexistence of spin-ordered and topologically non-trivial states. An unambiguous signature of the persistence of the topological bulk property is the survival of bona fide edge states. We show that the penetration of the magnetic order is accompanied by the progressive reconstruction of gapless states in sub-peripherals layers, redefining the actual topological boundary within the system.

cond-mat.str-el↗

arXiv2017

Edge states reconstruction from strong correlations in quantum spin Hall insulators

We study quantum spin Hall insulators with local Coulomb interactions in the presence of boundaries using dynamical mean field theory. We investigate the different influence of the Coulomb interaction on the bulk and the edge states. Interestingly, we discover an edge reconstruction driven by electronic correlations. The reason is that the helical edge states experience Mott localization for an interaction strength smaller than the bulk one. We argue that the significance of this edge reconstruction can be understood by topological properties of the system characterized by a local Chern marker.

cond-mat.str-el↗

arXiv2016

Doping driven metal-insulator transitions and charge orderings in the extended Hubbard model

We perform a thorough study of an extended Hubbard model featuring local and nearest-neighbor Coulomb repulsion. Using dynamical mean-field theory we investigated the zero temperature phase-diagram of this model as a function of the chemical doping. The interplay between local and non-local interaction drives a variety of phase-transitions connecting two distinct charge-ordered insulators, i.e., half-filled and quarter-filled, a charge-ordered metal and a Mott insulating phase. We characterize these transitions and the relative stability of the solutions and we show that the two interactions conspire to stabilize the quarter-filled charge ordered phase.

cond-mat.str-el↗

arXiv2016

Field-driven Mott gap collapse and resistive switch in correlated insulators

Mott insulators can be portrayed as "unsuccessful metals": systems in which a strong Coulomb repulsion prevents charge conduction notwithstanding the metal-like density of conduction electrons. The possibility to unlock such large density of frozen carriers with an electric field offers a tantalizing opportunity to realize new Mott-based microelectronic devices. Here we explicitly unveil how such unlocking happens by solving a simple, yet generic, model for correlated insulators using dynamical mean-field theory. Specifically, we show that the electric breakdown of a Mott insulator can occur via a first-order insulator-to-metal transition, characterized by an abrupt gap-collapse in sharp contrast to the Zener tunneling mechanism. The switch-on of charge conduction is due to the energetic stabilization of a metallic phase that preexists as metastable state in equilibrium and is disconnected from the stable insulator. Our findings rationalize recent experimental observations and offer a guideline for future technological research.

cond-mat.str-el↗

arXiv2016

Effective magnetic correlations in hole-doped graphene nanoflakes

The magnetic properties of zig-zag graphene nanoflakes (ZGNF) are investigated within the framework of the dynamical mean-field theory. At half-filling and for realistic values of the local interaction, the ZGNF is in a fully compensated antiferromagnetic (AF) state, which is found to be robust against temperature fluctuations. Introducing charge carriers in the AF background drives the ZGNF metallic and stabilizes a magnetic state with a net uncompensated moment at low temperature. The change in magnetism is ascribed to the delocalization of the doped holes in the proximity of the edges, which mediate ferromagnetic correlations between the localized magnetic moments. Depending on the hole concentration, the magnetic transition may display a pronounced hysteresis over a wide range of temperature, indicating the coexistence of magnetic states with different symmetry. This suggests the possibility of achieving the electrostatic control of the magnetic state of ZGNFs to realize a switchable spintronic device.

cond-mat.str-el↗

arXiv2016

Strong Correlation Effects on Topological Quantum Phase Transitions in Three Dimensions

We investigate the role of short-ranged electron-electron interactions in a paradigmatic model of three dimensional topological insulators, using dynamical mean-field theory and focusing on non magnetically ordered solutions. The non-interacting band-structure is controlled by a mass term M, whose value discriminates between three different insulating phases, a trivial band insulator and two distinct topologically non-trivial phases. We characterize the evolution of the transitions between the different phases as a function of the local Coulomb repulsion U and find a remarkable dependence of the U -M phase diagram on the value of the local Hund's exchange coupling J. However, regardless the value of J, following the evolution of the topological transition line between a trivial band insulator and a topological insulator, we find a critical value of U separating a continuous transition from a first-order one. When the Hund's coupling is significant, a Mott insulator is stabilized at large U . In proximity of the Mott transition we observe the emergence of an anomalous "Mott-like" strong topological insulating state.

cond-mat.str-el↗

arXiv2016

Dynamical Mean-Field Theory description of the voltage induced transition in a non-equilibrium superconductor

Using dynamical mean-field theory (DMFT) we study a simplified model for heterostructures involving superconductors. The system is driven out-of-equilibrium by a voltage bias, imposed as an imbalance of chemical potential at the interface. We solve the self-consistent DMFT equations using iterative second-order perturbation theory in the Nambu-Keldysh formalism. We show that the superconducting state is destabilized by voltage biases of the order of the energy gap. We demonstrate that the transition to the normal state occurs through an intermediate bad superconducting state, which is characterized by a smaller value of the order parameter and incoherent excitations. We discuss the energetic balance behind the stabilization of such exotic superconducting state.

cond-mat.str-el↗

arXiv2015

First order character and observable signatures of topological quantum phase transitions

Topological quantum phase transitions are characterised by changes in global topological invariants. These invariants classify many body systems beyond the conventional paradigm of local order parameters describing spontaneous symmetry breaking. For non-interacting electrons, it is well understood that such transitions are continuous and always accompanied by a gap-closing in the energy spectrum, given that the symmetries protecting the topological phase are maintained. Here, we demonstrate that sufficiently strong electron-electron interaction can fundamentally change the situation: we discover a topological quantum phase transition of first order character in the genuine thermodynamic sense, that occurs without gap closing. Our theoretical study reveals the existence of a quantum critical endpoint associated with an orbital instability on the transition line between a 2D topological insulator and a trivial band insulator. Remarkably, this phenomenon entails unambiguous signatures associated to the orbital occupations that can be detected experimentally.

cond-mat.str-el↗

arXiv2014

Electronic transport and dynamics in correlated heterostructures

We investigate by means of the time-dependent Gutzwiller approximation the transport properties of a strongly-correlated slab subject to Hubbard repulsion and connected with to two metallic leads kept at a different electrochemical potential. We focus on the real-time evolution of the electronic properties after the slab is connected to the leads and consider both metallic and Mott insulating slabs. When the correlated slab is metallic, the system relaxes to a steady-state that sustains a finite current. The zero-bias conductance is finite and independent of the degree of correlations within the slab as long as the system remains metallic. On the other hand, when the slab is in a Mott insulating state, the external bias leads to currents that are exponentially activated by charge tunneling across the Mott-Hubbard gap, consistent with the Landau-Zener dielectric breakdown scenario.

cond-mat.str-el↗

arXiv2013

Local moment dynamics and screening effects in doped charge-transfer insulators

By means of Dynamical Mean-Field Theory we investigate the spin response function of a model for correlated materials with d- or f-electrons hybridized with more delocalized ligand orbitals. We point out the existence of two different processes responsible for the dynamical screening of local moments of the correlated electrons. Studying the local spin susceptibility we identify the contribution of the "direct" magnetic exchange and of an "indirect" one mediated by the itinerant uncorrelated orbitals. In addition, we characterize the nature of the dynamical screening processes in terms of different classes of diagrams in the hybridization-expansion contributing to the density-matrix. Our analysis suggests possible ways of estimating the relative importance of these two classes of screening processes in realistic calculations for correlated materials.

cond-mat.str-el↗

arXiv2013

Inhomogeneous BCS-BEC crossover for trapped cold atoms in optical lattices

The BCS-BEC crossover in a lattice is a powerful paradigm to understand how a superconductor deviates from the Bardeen-Cooper-Schrieffer physics as the attractive interaction increases. Optical lattices loaded with binary mixtures of cold atoms allow to address it experimentally in a clean and controlled way. We show that, however, the possibility to study this phenomenon in actual cold-atoms experiments is limited by the effect of the trapping potential. Real-space Dynamical Mean-Field Theory calculations show indeed that interactions and the confining potential conspire to pack the fermions in the center of the trap, which approaches a band insulator when the attraction become sizeable. We show how this physics reflects in several observables, and we propose an alternative strategy to disentangle the effect of the harmonic potential and measure the intrinsic properties resulting from the interaction strength.

cond-mat.str-el↗