arXiv subjects

M. Capone

Publications and source records attributed to M. Capone.

At least 19 recordsLinked to original sources

arXiv2025

Enhanced coherence and layer-selective charge order in a trilayer cuprate superconductor

Trilayer cuprates hold the record for the highest superconducting critical temperatures ($T_{\text{c}}$), yet the underlying mechanism remains elusive. Using time- and angle-resolved photoemission spectroscopy (tr-ARPES), we uncover a striking interplay between charge order, superconducting gap magnitude, and quasiparticle coherence in Bi$_2$Sr$_2$Ca$_2$Cu$_3$O$_{10+\delta}$ (Bi2223). This constitutes ARPES-based evidence of charge order on the inner CuO$_2$ plane, as confirmed via resonant x-ray scattering (RXS); in addition, the same inner plane hosts a superconducting gap significantly larger than that of the overdoped outer planes, firmly establishing it as underdoped. Unexpectedly, despite its underdoped nature, the inner plane also exhibits an exceptional degree of quasiparticle coherence; suppressing charge-order fluctuations further enhances this, making it comparable to that of the overdoped outer planes at elevated electronic temperatures. These findings, supported by complementary three-layer single-band Hubbard calculations, reveal a unique interlayer mechanism in which both pairing strength and phase coherence are optimized when interfacing planes with distinct hole concentrations, providing new microscopic insight into the record $T_{\text{c}}$ of Bi2223.

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↗

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

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↗

arXiv2019

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 $\theta\sim 1.08^\circ$, 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 $\Gamma$ 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

Electrodynamic properties of an artificial heterostructured superconducting cuprate

We perform infrared conductivity measurements on a series of CaCuO$_2$/SrTiO$_3$ heterostructures made by the insulating cuprate CaCuO$_2$ (CCO) and the insulating perovkite SrTiO$_3$ (STO). We estimate the carrier density of various heterostructures, with different level of hole doping from the integral of the optical conductivity and we measure the corresponding degree of correlation by estimating the ratio between the Drude weight and the integral of the infrared spectrum. The analysis demonstrates a large degree of correlation, which increases as the doping is reduced. The experimental results can be reproduced by Dynamical Mean-Field Theory calculations which strongly support the role of correlations in the CCO/STO heterostructures and their similarities with the most common cuprate superconductors. Our results suggest that cuprate superconductors can be looked at as natural superlattices, where the properties of the CuO$_2$ conducting planes and charge reservoir blocks can be completely disentangled.

cond-mat.supr-con↗

arXiv2017

Dimensionality-driven metal-insulator-transition in spin-orbit coupled SrIrO$_3$

Upon reduction of the film thickness we observe a metal-insulator transition in epitaxially stabilized, spin-orbit coupled SrIrO$_3$ ultrathin films. By comparison of the experimental electronic dispersions with density functional theory at various levels of complexity we identify the leading microscopic mechanisms, i.e., a dimensionality-induced re-adjustment of octahedral rotations, magnetism, and electronic correlations. The astonishing resemblance of the band structure in the two-dimensional limit to that of bulk Sr$_2$IrO$_4$ opens new avenues to unconventional superconductivity by "clean" electron doping through electric field gating.

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

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

Nematicity at the Hund's metal crossover in iron superconductors

The theoretical understanding of the nematic state of iron-based superconductors and especially of FeSe is still a puzzling problem. Although a number of experiments calls for a prominent role of local correlations and place iron superconductors at the entrance of a Hund metal state, the effect of the electronic correlations on the nematic state has been theoretically poorly investigated. In this work we study the nematic phase of iron superconductors accounting for local correlations, including the effect of the Hund's coupling. We show that Hund's physics strongly affects the nematic properties of the system. It severely constraints the precise nature of the feasible orbital-ordered state and induces a differentiation in the effective masses of the zx=yz orbitals in the nematic phase. The latter effect leads to distinctive signatures in different experimental probes, so far overlooked in the interpretation of experiments. As notable examples the splittings between zx and yz bands at Gamma and M points are modified, with important consequences for ARPES measurements.

cond-mat.supr-con↗

arXiv2016

Evidences of Mott physics in iron pnictides from x-ray spectroscopy

X-ray emission and absorption spectroscopies are jointly used as fast probes to determine the evolution as a function of doping of the fluctuating local magnetic moments in K- and Cr- hole-doped BaFe2As2. An increase in the local moment with hole-doping is found, supporting the theoretical scenario in which a Mott insulating state that would be realized for half-filled conduction bands has an influence throughout the phase diagram of these iron-pnictides.

cond-mat.supr-con↗

arXiv2016

Strong Correlations, Strong Coupling and s-wave Superconductivity in Hole-doped BaFe2As2 Single Crystals

We present a comprehensive study of the low-temperature heat capacity and thermal expansion of single crystals of the hole-doped Ba1-xKxFe2As2 series (0<x<1) and the end-members RbFe2As2 and CsFe2As2. A large increase of the Sommerfeld coefficient is observed with both decreasing band filling and isovalent substitution (K, Rb, Cs) revealing a strong enhancement of electron correlations and the possible proximity of these materials to a Mott insulator. This trend is well reproduced theoretically by our Density-Functional Theory + Slave-Spin (DFT+SS) calculations, confirming that 122-iron pnictides are effectively Hund metals, in which sizable Hund's coupling and orbital selectivity are the key ingredients for tuning correlations. We also find direct evidence for the existence of a coherence-incoherence crossover between a low-temperature heavy Fermi liquid and a highly incoherent high-temperature regime similar to heavy fermion systems. In the superconducting state, clear signatures of multiband superconductivity are observed with no evidence for nodes in the energy gaps, ruling out the existence of a doping-induced change of symmetry (from s to d-wave). We argue that the disappearance of the electron band in the range 0.4<x<1.0 is accompanied by a strong-to-weak coupling crossover and that this shallow band remains involved in the superconducting pairing, although its contribution to the normal state fades away. Differences between hole- and electron-doped BaFe2As2 series are emphasized and discussed in terms of strong pair breaking by potential scatterers beyond the Born limit.

cond-mat.supr-con↗

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

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↗

arXiv2015

Electronic correlation assisted ferroelectric metallic state in LiOsO$_3$

LiOsO$_3$ has been recently identified as the first unambiguous "ferroelectric metal", experimentally realizing a prediction from 1965 by Anderson and Blount. In this work, we investigate the metallic state in LiOsO$_3$ by means of infrared spectroscopy supplemented by Density Functional Theory and Dynamical Mean Field Theory calculations. Our measurements and theoretical calculations clearly show that LiOsO$_3$ is a very bad metal with a small quasiparticle weight, close to a Mott-Hubbard localization transition. The agreement between experiments and theory allows us to ascribe all the relevant features in the optical conductivity to strong electron-electron correlations within the $t_{2g}$ manifold of the osmium atoms.

cond-mat.str-el↗