arXiv subjects

Michele Fabrizio

Publications and source records attributed to Michele Fabrizio.

At least 73 records · Page 4Linked to original sources

arXiv2017

Interplay of charge and spin dynamics after an interaction quench in the Hubbard model

We investigate the unitary dynamics following a sudden increase $ΔU>0$ of repulsion in the paramagnetic sector of the half-filled Hubbard model on a Bethe lattice, by means of a variational approach that combines a Gutzwiller wavefunction with a partial Schrieffer-Wolff transformation, both defined through time-dependent variational parameters. Besides recovering at $ΔU_c$ the known dynamical transition linked to the equilibrium Mott transition, we find pronounced dynamical anomaly at larger $ΔU_*>ΔU_c$ manifested in a singular behaviour of the long-time average of double occupancy. Although the real-time dynamics of the variational parameters at $ΔU_*$ strongly resembles the one at $ΔU_c$, careful frequency spectrum analysis suggests a dynamical crossover, instead of a dynamical transition, separating regions of a different behaviour of the spin-exchange.

cond-mat.str-el↗

arXiv2017

Manumitting slave-spins in the Anderson impurity model

We show that a generic single-orbital Anderson impurity model, lacking for instance any kind of particle-hole symmetry, can be exactly mapped without any constraint onto a resonant level model coupled to two Ising variables, which reduce to one if the hybridisation is particle-hole symmetric. The mean-field solution of this model is found to be stable to unphysical spontaneous magnetisation of the impurity, unlike the saddle-point solution in the standard slave-boson representation. Remarkably, the mean-field estimate of the Wilson ratio approaches the exact value $R_\text{W}=2$ in the Kondo regime.

cond-mat.str-el↗

arXiv2017

Mechanical dissipation at a tip-induced Kondo onset

The onset or demise of Kondo effect in a magnetic impurity on a metal surface can be triggered, as often observed, by the simple mechanical nudging of a tip. This mechanically-driven quantum phase transition must reflect in a corresponding mechanical dissipation peak; yet, this kind of effect has not been focused upon so far. Aiming at the simplest theoretical modeling, we initially treat the impurity as a non-interacting resonant level turned cyclically on and off, and obtain a dissipation per cycle which is proportional to the hybridization $Γ$, with a characteristic temperature dependent resonant peak value. A better treatment is obtained next by solving an Anderson impurity model by numerical renormalization group. Here, many body effects yield a dissipation whose peak value is now proportional to $T_K |\log T|$ so long as $T\sim T_K$, followed for $T\sim Γ$ by a second high temperature regime where dissipation is proportional to $Γ|\log T|$. The detectability of Kondo mechanical dissipation in atomic force microscopy is discussed.

cond-mat.str-el↗

arXiv2017

Mottness at finite doping and charge-instabilities in cuprates

The intrinsic instability of underdoped copper oxides towards inhomogeneous states is one of the central puzzles of the physics of correlated materials. The influence of the Mott physics on the doping-temperature phase diagram of copper oxides represents a major issue that is subject of intense theoretical and experimental effort. Here, we investigate the ultrafast electron dynamics in prototypical single-layer Bi-based cuprates at the energy scale of the O-2p$\rightarrow$Cu-3d charge-transfer (CT) process. We demonstrate a clear evolution of the CT excitations from incoherent and localized, as in a Mott insulator, to coherent and delocalized, as in a conventional metal. This reorganization of the high-energy degrees of freedom occurs at the critical doping p$_{cr}\simeq$0.16 irrespective of the temperature, and it can be well described by dynamical mean field theory calculations. We argue that the onset of the low-temperature charge instabilities is the low-energy manifestation of the underlying Mottness that characterizes the p<p$_{cr}$ region of the phase diagram. This discovery sets a new framework for theories of charge order and low-temperature phases in underdoped copper oxides.

cond-mat.supr-con↗

arXiv2017

Two-Band $s_\pm$ Strongly Correlated Superconductivity in K$_3$ p-Terphenyl?

A new organic superconductor, possibly with formula $K_3$ p-terphenyl, has been discovered by Wang, Gao, Huang and Chen, reaching a very high $T_c$ of about 120~K. Besides a clear diamagnetic signal, most other details such as stoichiometry and structure are yet unknown. However, pristine p-terphenyl has a familiar $P2_1/a$ staggered bimolecular structure, and it can be reasonably assumed that a similar bimolecular structure could be retained by hypothetical $K_3$ p-terphenyl. We point out that the resulting 2-narrow band metal would support the same $s_{\pm}$ superconductivity recently proposed for doped polycyclic aromatic hydrocarbons such as La-phenanthrene or $K_3$-picene. In that model, narrow bands, a large Hubbard $U$ and the neighbourhood of a Mott transition enhance superconductivity rather than damaging it.

cond-mat.supr-con↗

arXiv2017

Cooling quasiparticles in A$_3$C$_{60}$ fullerides by excitonic mid-infrared absorption

Long after its discovery superconductivity in alkali fullerides A$_3$C$_{60}$ still challenges conventional wisdom. The freshest inroad in such ever-surprising physics is the behaviour under intense infrared (IR) excitation. Signatures attributable to a transient superconducting state extending up to temperatures ten times higher than the equilibrium $T_c\sim$ 20 K have been discovered in K$_3$C$_{60}$ after ultra-short pulsed IR irradiation -- an effect which still appears as remarkable as mysterious. Motivated by the observation that the phenomenon is observed in a broad pumping frequency range that coincides with the mid-infrared electronic absorption peak still of unclear origin, rather than to TO phonons as has been proposed, we advance here a radically new mechanism. First, we argue that this broad absorption peak represents a "super-exciton" involving the promotion of one electron from the $t_{1u}$ half-filled state to a higher-energy empty $t_{1g}$ state, dramatically lowered in energy by the large dipole-dipole interaction acting in conjunction with Jahn Teller effect within the enormously degenerate manifold of $\big(t_{1u}\big)^2\big(t_{1g}\big)^1$ states. Both long-lived and entropy-rich because they are triplets, the IR-induced excitons act as a sort of cooling mechanism that permits transient superconductive signals to persist up to much larger temperatures.

cond-mat.str-el↗

arXiv2017

Quantum fluctuations beyond the Gutzwiller approximation

We present a simple scheme to evaluate linear response functions including quantum fluctuation corrections on top of the Gutzwiller approximation. The method is derived for a generic multi-band lattice Hamiltonian without any assumption about the dynamics of the variational correlation parameters that define the Gutzwiller wavefunction, and which thus behave as genuine dynamical degrees of freedom that add on those of the variational uncorrelated Slater determinant. We apply the method to the standard half-filled single-band Hubbard model. We are able to recover known results, but, as by-product, we also obtain few novel ones. In particular, we show that quantum fluctuations can reproduce almost quantitatively the behaviour of the uniform magnetic susceptibility uncovered by dynamical mean field theory, which, though enhanced by correlations, is found to be smooth across the paramagnetic Mott transition. By contrast, the simple Gutzwiller approximation predicts that susceptibility to diverge at the transition.

cond-mat.str-el↗

arXiv2017

Mott physics beyond Brinkman-Rice scenario

The main flaw of the well-known Brinkman-Rice description, obtained through the Gutzwiller approximation, of the paramagnetic Mott transition in the Hubbard model is in neglecting high-energy virtual processes that generate for instance the antiferromagnetic exchange $J\sim t^2/U$. Here we propose a way to capture those processes by combining the Brinkman-Rice approach with a variational Schrieffer-Wolff transformation, and apply this method to study the single-band metal-to-insulator transition in a Bethe lattice with infinite coordination number, where the Gutzwiller approximation becomes exact. We indeed find for the Mott transition a description very close to the real one provided by dynamical mean-field theory; an encouraging result in view of possible applications to more involved models.

cond-mat.str-el↗

arXiv2016

Nanoscale orbital excitations and the infrared spectrum of a molecular Mott insulator: A15-Cs$_{3}$C$_{60}$

The quantum physics of ions and electrons behind low-energy spectra of strongly correlated {\it molecular} conductors, superconductors and Mott insulators is poorly known, yet fascinating especially in orbitally degenerate cases. The fulleride insulator Cs$_{3}$C$_{60}$ (A15), one such system, exhibits infrared (IR) spectra with low temperature peak features and splittings suggestive of static Jahn-Teller distortions with breakdown of orbital symmetry in the molecular site. That is puzzling, for there is no detectable static distortion, and because the features and splittings disappear upon modest heating, which they should not. Taking advantage of the Mott-induced collapse of electronic wavefunctions from lattice-extended to nanoscale localized inside a caged molecular site, we show that unbroken spin and orbital symmetry of the ion multiplets explains the IR spectrum without adjustable parameters. This demonstrates the importance of a fully quantum treatment of nuclear positions and orbital momenta in the Mott insulator sites, dynamically but not statically distorted. The observed demise of these features with temperature is explained by the thermal population of a multiplet term whose nuclear positions are essentially undistorted, but whose energy is very low-lying. That term is in facts a scaled-down orbital excitation analogous to that of other Mott insulators, with the same spin $1/2$ as the ground state, but with a larger orbital moment of two instead of one.

cond-mat.supr-con↗

arXiv2016

Many-body breakdown of indirect gap in topological Kondo insulators

We show that the inclusion of nonlocal correlation effects in a variational wave function for the ground state of a topological Anderson lattice Hamiltonian is capable of describing both topologically trivial insulating phases and nontrivial ones characterized by an indirect gap, as well as its closure at the transition into a metallic phase. The method, though applied to an oversimplified model, thus captures the metallic and insulating states that are indeed observed in a variety of Kondo semiconductors, while accounting for topologically nontrivial band structures.

cond-mat.str-el↗

arXiv2016

Non-Fermi-liquid behavior in quantum impurity models with superconducting channels

We study how the non-Fermi-liquid nature of the overscreened multi-channel Kondo impurity model affects the response to a BCS pairing term that, in the absence of the impurity, opens a gap $Δ$. We find that non-Fermi liquid features do persist even at finite $Δ$: the local density of states lacks coherence peaks, the states in the continuum above the gap are unconventional, and the boundary entropy is a non-monotonic function of temperature. Even more surprisingly, we also find that the low-energy spectrum in the limit $Δ\to 0$ actually does not correspond to the spectrum strictly at $Δ=0$. In particular, the $Δ\to 0$ ground state is an orbitally degenerate spin-singlet, while it is an orbital singlet with a residual spin degeneracy at $Δ=0$. In addition, there are fractionalized spin-1/2 sub-gap excitations whose energy in units of $Δ$ tends towards a finite and universal value when $Δ\to 0$; as if the universality of the anomalous power-law exponents that characterise the overscreened Kondo effect turned into universal energy ratios when the scale invariance is broken by $Δ\not=0$. This intriguing phenomenon can be explained by the renormalisation flow towards the overscreened fixed point and the gap cutting off the orthogonality catastrophe singularities.

cond-mat.str-el↗

arXiv2016

Metallic, Magnetic and Molecular Nanocontacts

Scanning tunnelling microscopy and break-junction experiments realize metallic and molecular nanocontacts that act as ideal one-dimensional channels between macroscopic electrodes. Emergent nanoscale phenomena typical of these systems encompass structural, mechanical, electronic, transport, and magnetic properties. This Review focuses on the theoretical explanation of some of these properties obtained with the help of first-principles methods. By tracing parallel theoretical and experimental developments from the discovery of nanowire formation and conductance quantization in gold nanowires to recent observations of emergent magnetism and Kondo correlations, we exemplify the main concepts and ingredients needed to bring together ab initio calculations and physical observations. It can be anticipated that diode, sensor, spin-valve and spin-filter functionalities relevant for spintronics and molecular electronics applications will benefit from the physical understanding thus obtained.

cond-mat.mes-hall↗

arXiv2016

Ultrafast optical spectroscopy of strongly correlated materials and high-temperature superconductors: a non-equilibrium approach

In the last two decades, non-equilibrium spectroscopies have evolved from avant-garde studies to crucial tools for expanding our understanding of the physics of strongly correlated materials. The possibility of obtaining simultaneously spectroscopic and temporal information has led to insights that are complementary to (and in several cases beyond) those attainable by studying the matter at equilibrium. Multiple phase transitions and new orders arising from competing interactions are benchmark examples where the interplay among electrons, lattice, and spin dynamics can be disentangled because of the different timescales that characterize the recovery of the initial ground state. The nature of the broken-symmetry phases and of the bosonic excitations that mediate the electronic interactions, eventually leading to superconductivity or other exotic states, can be revealed by observing the sub-picosecond dynamics of impulsively excited states. Recent experimental developments have made possible to monitor the time-evolution of both the single-particle and collective excitations under extreme conditions, such as those arising from strong and selective photo-stimulation. Here, we review the most recent achievements in the experimental and theoretical studies of the non-equilibrium electronic, optical, structural and magnetic properties of correlated materials. The focus will be mainly on the prototypical case of correlated oxides that exhibit unconventional superconductivity or other exotic phases, even though the discussion will extend also to other topical systems. The necessity of extending the actual experimental capabilities and the numerical and analytic tools to microscopically treat the non-equilibrium phenomena beyond the simple phenomenological approaches represents one of the most challenging new frontier in physics.

cond-mat.supr-con↗

arXiv2016

Non-equilibrium variational cluster perturbation theory: quench dynamics of the quantum Ising model

We introduce a variational implementation of cluster perturbation theory (CPT) to address the dynamics of spin systems driven out of equilibrium. We benchmark the method with the quantum Ising model subject to a sudden quench of the transverse magnetic field across the transition or within a phase. We treat both the one-dimensional case, for which an exact solution is available, as well the two-dimensional one, for which has to resort to numerical results. Comparison with exact results shows that the approach provides a quite accurate description of the real-time dynamics up to a characteristic time scale $τ$ that increses with the size of the cluster used for CPT. In addition, and not surprisingly $τ$ is small for quenches across the equilibrium phase transition, but can be quite larger for quenches within the ordered or disordered phases.

cond-mat.str-el↗

arXiv2016

Non-equilibrium and non-homogeneous phenomena around a first-order quantum phase transition

We consider non-equilibrium phenomena in a very simple model that displays a zero-temperature first-order phase transition. The quantum Ising model with a four-spin exchange is adopted as a general representative of first-order quantum phase transitions that belong to the Ising universality class, such as for instance the order-disorder ferroelectric transitions, and possibly first-order T = 0 Mott transitions. In particular, we address quantum quenches in the exactly solvable limit of infinite connectivity and show that, within the coexistence region around the transition, the system can remain trapped in a metastable phase, as long as it is spatially homogeneous so that nucleation can be ignored. Motivated by the physics of nucleation, we then study in the same model static but inhomogeneous phenomena that take place at surfaces and interfaces. The first order nature implies that both phases remain locally stable across the transition, and with that the possibility of a metastable wetting layer showing up at the surface of the stable phase, even at T=0. We use mean-field theory plus quantum fluctuations in the harmonic approximation to study quantum surface wetting.

cond-mat.str-el↗

arXiv2015

$Z_2$-gauge theory description of the Mott transition in infinite dimensions

The infinite dimensional half-filled Hubbard model can be mapped exactly with no additional constraint onto a model of free fermions coupled in a $Z_2$ gauge-invariant manner to auxiliary Ising spins in a transverse field. In this slave-spin representation, the zero-temperature insulator-to-metal transition translates into spontaneous breaking of the local $Z_2$ gauge symmetry, which is not forbidden in infinite dimensions, thus endowing the Mott transition of an order parameter that is otherwise elusive in the original fermion representation. We demonstrate this interesting scenario by exactly solving the effective spin-fermion model by dynamical mean-field theory both at zero and at finite temperature.

cond-mat.str-el↗

arXiv2015

Low-temperature magnetic ordering and structural distortions in Vanadium Sesquioxide (V$_2$O$_3$)

Vanadium Sesquioxide (V$_2$O$_3$) is an antiferromagnetic insulator below $T_{\mathrm N}\approx$ 155 K. The magnetic order is not of C- or G-type as one would infer from the bipartite character of the hexagonal basal plane in the high-temperature corundum structure. In fact, the Néel transition is accompanied by a monoclinic distortion that makes one bond of the honeycomb plane inequivalent from the other two, thus justifying a magnetic structure with one ferromagnetic bond and two antiferromagnetic ones. We show here that the magnetic ordering, the accompanying monoclinic structural distortion, the magnetic anisotropy and also the recently discovered high-pressure monoclinic phase, can all be accurately described by conventional electronic structure calculations within GGA and GGA+U. Our results are in line with DMFT calculations for the paramagnetic phase, which predict that the insulating character is driven by a correlation-enhanced crystal field splitting between $e^π_g$ and $a_{1g}$ orbitals that pushes the latter above the chemical potential. We find that the $a_{1g}$ orbital, although almost empty in the insulating phase, is actually responsible for the unusual magnetic order as it leads to magnetic frustration whose effect is similar to a next-nearest-neighbor exchange in a Heisenberg model on a honeycomb lattice.

cond-mat.mtrl-sci↗

arXiv2014

Superconductivity from spoiling magnetism in the Kondo lattice model

We find evidence that superconductivity intrudes into the paramagnetic-to-magnetic transition of the Kondo lattice model if magnetic frustration is added. Specifically, we study by variational method the model on a square lattice in the presence of both nearest- ($t$) and next-nearest-neighbor ($t^\prime$) hopping of the conduction electrons. We find that when $t^\prime/t$ is finite a $d$-wave superconducting dome emerges between the magnetic and paramagnetic metal phases and close to the compensated regime, i.e., the number of conduction electrons equal to the number of localized spin-1/2 moments. Superconductivity is further strengthened by a direct antiferromagnetic exchange between the localized moments, to such an extent that we even observe coexistence with magnetic order.

cond-mat.str-el↗