arXiv subjects

S. Ciuchi

Publications and source records attributed to S. Ciuchi.

At least 19 recordsLinked to original sources

arXiv2023

Transient localization from the interaction with quantum bosons

We carefully revisit the electron-boson scattering problem, going beyond popular semi-classical treatments. By providing numerically exact results valid at finite temperatures, we demonstrate the existence of a regime of electron-boson scattering where quantum localization processes become relevant despite the absence of extrinsic disorder. Localization in the Anderson sense is caused by the emergent randomness resulting from a large thermal boson population, being effective at transient times before diffusion can set in. Compelling evidence of this transient localization phenomenon is provided by the observation of a distinctive displaced Drude peak (DDP) in the optical absorption and the ensuing suppression of conductivity. Our findings identify a general route for anomalous metallic behavior that can broadly apply in interacting quantum matter.

cond-mat.str-el↗

arXiv2022

A quantum theory of the nearly frozen charge glass

We study long-range interacting electrons on the triangular lattice using mixed quantum/classical simulations going beyond the usual classical descriptions of the lattice Coulomb fluid. Our results in the strong interaction limit indicate that the emergence and proliferation of quantum defects governs the low-temperature dynamics of this strongly frustrated system, in a way that crucially depends on the degree of anisotropy of the electronic structure. The present theoretical findings explain the phenomenology observed in the $\theta$-ET$_2$X charge ordering materials as they fall out of equilibrium. The approach devised here can be easily generalized to address other systems where charge frustration is lifted by quantum fluctuations.

cond-mat.str-el↗

arXiv2021

Displaced Drude peak and bad metal from the interaction with slow fluctuations

Scattering by slowly fluctuating degrees of freedom can cause a transient localization of the current-carrying electrons in metals, driving the system away from normal metallic behavior. We illustrate and characterize this general phenomenon by studying how signatures of localization emerge in the optical conductivity of electrons interacting with slow bosonic fluctuations. The buildup of quantum localization corrections manifests itself in the emergence of a displaced Drude peak (DDP), whose existence strongly alters the low frequency optical response and suppresses the d.c. conductivity. We find that for sufficiently strong interactions, many-body renormalization of the fluctuating field induced at metallic densities enhances electron localization and the ensuing DDP phenomenon in comparison with the well-studied low concentration limit. Our results are compatible with the frequent observation of DDPs in electronic systems where slowly fluctuating degrees of freedom couple significantly to the charge carriers.

cond-mat.str-el↗

arXiv2020

Attractive effect of a strong electronic repulsion -- the physics of vertex divergences

While the breakdown of the perturbation expansion for the many-electron problem has several formal consequences, here we unveil its physical effect: Flipping the sign of the effective electronic interaction in specific scattering channels. By decomposing local and uniform susceptibilities of the Hubbard model via their spectral representations, we prove how entering the non-perturbative regime causes an enhancement of the charge response, ultimately responsible for the phase-separation instabilities close to the Mott MIT. Our analysis opens a new route for understanding phase-transitions in the non-perturbative regime and clarifies why attractive effects emerging from a strong repulsion can induce phase-separations, but not s-wave pairing or charge-density wave instabilities.

cond-mat.str-el↗

arXiv2019

Interplay between local response and vertex divergences in many-fermion systems with on-site attraction

We investigate the divergences appearing in the two-particle irreducible vertex functions of many-fermion systems with attractive on-site interactions. By means of dynamical mean-field theory calculations, we determine the location of singularity lines in the phase diagram of the attractive Hubbard model at half-filling, where the local Bethe-Salpeter equations are non invertible. We find that divergences appear both in the magnetic and in the density scattering channels. The former affect a sector of suppressed fluctuations and comply with the mapping of the physical susceptibilities of the repulsive case. At the same time, the appearance of singularities in the density channel of the attractive model demonstrates that vertex divergences can also plague the dominant scattering sectors associated with enhanced local susceptibilities. This constitutes a counterexample to previously proposed interpretations. Eventually, by exploiting the underlying physical symmetries and a spectral representation of the susceptibilities, we clarify the relation between vertex divergences and the local response of the system in different channels.

cond-mat.str-el↗

arXiv2019

On dynamical localization corrections to band transport

Bloch-Boltzmann transport theory fails to describe the carrier diffusion in current crystalline organic semiconductors, where the presence of large-amplitude thermal molecular motions causes substantial dynamical disorder. The charge transport mechanism in this original situation is now understood in terms of a transient localization of the carriers' wavefunctions, whose applicability is however limited to the strong disorder regime. In order to deal with the ever-improving performances of new materials, we develop here a unified theoretical framework that includes transient localization theory as a limiting case, and smoothly connects with the standard band description when molecular disorder is weak. The theory, which specifically adresses the emergence of dynamical localization corrections to semiclassical transport, is used to determine a "transport phase diagram" of high-mobility organic semiconductors.

cond-mat.mtrl-sci↗

arXiv2016

Non-perturbative landscape of the Mott-Hubbard transition: Multiple divergence lines around the critical endpoint

We analyze the highly non-perturbative regime surrounding the Mott-Hubbard metal-to-insulator transition (MIT) by means of dynamical mean field theory calculations at the two-particle level. By extending the results of Schäfer, et al. [Phys. Rev. Lett. 110, 246405 (2013)] we show the existence of infinitely many lines in the phase diagram of the Hubbard model where the local Bethe-Salpeter equations, and the related irreducible vertex functions, become singular in the charge as well as the particle-particle channel. These divergence lines accumulate around the critical Mott endpoint in accordance with the interpretation as precursors of the MIT. By comparing our numerical data with analytical calculations of increasing complexity, such as for the disordered Binary Mixture and Falicov-Kimball (FK) models, as well as for the atomic limit (AL) case, (i) we identify two different kinds of divergences lines; (ii) we classify them in terms of the frequency-structure of the associated singular eigenvectors; (iii) we investigate their relation to the multiple branches in the Luttinger-Ward formalism. Moreover, we could distinguish the situations where the multiple divergences simply reflect the emergence of an underlying, unique energy scale $ν^*$ below which perturbation theory does no longer apply, from those where the breakdown of perturbation theory affects, not trivially, different energy regimes. Finally, we discuss the implications of our results on the theoretical understanding of the non-perturbative physics around the MIT and for future developments of many-body algorithms applicable in this regime.

cond-mat.str-el↗

arXiv2015

Formation and observation of a quasi-two-dimensional $d_{xy}$ electron liquid in epitaxially stabilized Sr$_{2-x}$La$_{x}$TiO$_{4}$ thin films

We report the formation and observation of an electron liquid in Sr$_{2-x}$La$_{x}$TiO$_4$, the quasi-two-dimensional counterpart of SrTiO$_3$, through reactive molecular-beam epitaxy and {\it in situ} angle-resolved photoemission spectroscopy. The lowest lying states are found to be comprised of Ti 3$d_{xy}$ orbitals, analogous to the LaAlO$_3$/SrTiO$_3$ interface and exhibit unusually broad features characterized by quantized energy levels and a reduced Luttinger volume. Using model calculations, we explain these characteristics through an interplay of disorder and electron-phonon coupling acting co-operatively at similar energy scales, which provides a possible mechanism for explaining the low free carrier concentrations observed at various oxide heterostructures such as the LaAlO$_3$/SrTiO$_3$ interface.

cond-mat.str-el↗

arXiv2015

The transient localization scenario for charge transport in crystalline organic materials

Charge transport in crystalline organic semiconductors is intrinsically limited by the presence of large thermal molecular motions, which are a direct consequence of the weak van der Waals inter-molecular interactions. These lead to an original regime of transport called \textit{transient localization}, sharing features of both localized and itinerant electron systems. After a brief review of experimental observations that pose a challenge to the theory, we concentrate on a commonly studied model which describes the interaction of the charge carriers with inter-molecular vibrations. We present different theoretical approaches that have been applied to the problem in the past, and then turn to more modern approaches that are able to capture the key microscopic phenomenon at the origin of the puzzling experimental observations, i.e. the quantum localization of the electronic wavefuntion at timescales shorter than the typical molecular motions. We describe in particular a relaxation time approximation which clarifies how the transient localization due to dynamical molecular motions relates to the Anderson localization realized for static disorder, and allows us to devise strategies to improve the mobility of actual compounds. The relevance of the transient localization scenario to other classes of systems is briefly discussed.

cond-mat.mtrl-sci↗

arXiv2013

Coupling of the A_{1g} As-phonon to magnetism in iron pnictides

Charge, spin and lattice degrees of freedom are strongly entangled in iron superconductors. A neat consequence of this entanglement is the behavior of the A_{1g} As-phonon resonance in the different polarization symmetries of Raman spectroscopy when undergoing the magneto-structural transition. In this work we show that the observed behavior could be a direct consequence of the coupling of the phonons with the electronic excitations in the anisotropic magnetic state. We discuss this scenario within a five orbital tight-binding model coupled to phonons via the dependence of the Slater-Koster parameters on the As position. We identify two qualitatively different channels of the electron-phonon interaction: a geometrical one related to the Fe-As-Fe angle and another one associated with the modification upon As displacement of the Fe-As energy integrals pdsigma and pdpi. While both mechanisms result in a finite B_{1g} response, the behavior of the phonon intensity in the A_{1g} and B_{1g} Raman polarization geometries is qualitatively different when the coupling is driven by the angle or by the energy integral dependence. We discuss our results in view of the experimental reports.

cond-mat.str-el↗

arXiv2013

Divergent Precursors of the Mott-Hubbard Transition at the Two-Particle Level

Identifying the fingerprints of the Mott-Hubbard metal-insulator transition may be quite elusive in correlated metallic systems if the analysis is limited to the single particle level. However, our dynamical mean-field calculations demonstrate that the situation changes completely if the frequency dependence of the two-particle vertex functions is considered: The first non-perturbative precursors of the Mott physics are unambiguously identified well inside the metallic regime by the divergence of the local Bethe-Salpeter equation in the charge channel. At low temperatures this occurs in the region where incoherent high-energy features emerge in the spectral function, while at high temperatures it is traceable up to the atomic-limit.

cond-mat.str-el↗

arXiv2012

Electronic transport and quantum localization effects in organic semiconductors

We explore the charge transport mechanism in organic semiconductors based on a model that accounts for the thermal intermolecular disorder at work in pure crystalline compounds, as well as extrinsic sources of disorder that are present in current experimental devices. Starting from the Kubo formula, we develop a theoretical framework that relates the time-dependent quantum dynamics of electrons to the frequency-dependent conductivity. The electron mobility is then calculated through a relaxation time approximation that accounts for quantum localization corrections beyond Boltzmann theory, and allows us to efficiently address the interplay between highly conducting states in the band range and localized states induced by disorder in the band tails. The emergence of a "transient localization" phenomenon is shown to be a general feature of organic semiconductors, that is compatible with the bandlike temperature dependence of the mobility observed in pure compounds. Carrier trapping by extrinsic disorder causes a crossover to a thermally activated behavior at low temperature, which is progressively suppressed upon increasing the carrier concentration, as is commonly observed in organic field-effect transistors. Our results establish a direct connection between the localization of the electronic states and their conductive properties, formalizing phenomenological considerations that are commonly used in the literature.

cond-mat.mtrl-sci↗

arXiv2012

Low Energy Neutron Production by Inverse-beta decay in Metallic Hydride Surfaces

It has been recently argued that inverse-beta nuclear transmutations might occur at an impressively high rate in a thin layer at the metallic hydride surface under specific conditions. In this note we present a calculation of the transmutation rate which shows that there is little room for such a remarkable effect.

nucl-th↗

arXiv2012

Molecular fingerprints in the electronic properties of crystalline organic semiconductors: from experiment to theory

By comparing photoemission spectroscopy with a non-perturbative dynamical mean field theory extension to many-body ab initio calculations, we show in the prominent case of pentacene crystals that an excellent agreement with experiment for the bandwidth, dispersion and lifetime of the hole carrier bands can be achieved in organic semiconductors provided that one properly accounts for the coupling to molecular vibrational modes and the presence of disorder. Our findings rationalize the growing experimental evidence that even the best band structure theories based on a many-body treatment of electronic interactions cannot reproduce the experimental photoemission data in this important class of materials.

cond-mat.mtrl-sci↗

arXiv2011

Band dispersion and electronic lifetimes in crystalline organic semiconductors

The consequences of several microscopic interactions on the photoemission spectra of crystalline organic semiconductors (OSC) are studied theoretically. It is argued that their relative roles can be disentangled by analyzing both their temperature and their momentum/energy dependence. Our analysis shows that the polaronic thermal band narrowing, that is the foundation of most theories of electrical transport in OSC, is inconsistent in the range of microscopic parameters appropriate for these materials. An alternative scenario is proposed to explain the experimental trends.

cond-mat.mtrl-sci↗

arXiv2011

Transient localization in crystalline organic semiconductors

A relation derived from the Kubo formula shows that optical conductivity measurements below the gap frequency in doped semiconductors can be used to probe directly the time-dependent quantum dynamics of charge carriers. This allows to extract fundamental quantities such as the elastic and inelastic scattering rates, as well as the localization length in disordered systems. When applied to crystalline organic semiconductors, an incipient electron localization caused by large dynamical lattice disorder is unveiled, implying a breakdown of semiclassical transport.

cond-mat.mtrl-sci↗

arXiv2010

On the interface polaron formation in organic field-effect transistors

A model describing the low density carrier state in an organic single crystal FET with high-$κ$ gate dielectrics is studied. The interplay between charge carrier coupling with inter-molecular vibrations in the bulk of the organic material and the long-range interaction induced at the interface with a polar dielectric is investigated. This interplay is responsible for the stabilization of a polaronic state with an internal structure extending on few lattice sites, at much lower coupling strengths than expected from the polar interaction alone. This effect could give rise to polaron self-trapping in high-$κ$ organic FET's without invoking unphysically large values of the carrier interface interaction.

cond-mat.mtrl-sci↗

arXiv2009

Band-like motion and mobility saturation in organic molecular semiconductors

We analyze a model that accounts for the inherently large thermal lattice fluctuations associated to the weak van der Waals inter-molecular bonding in crystalline organic semiconductors. In these materials the charge mobility generally exhibits a "metallic-like" power-law behavior, with no sign of thermally activated hopping characteristic of carrier self-localization, despite apparent mean-free-paths comparable or lower than the inter-molecular spacing. Our results show that such puzzling transport regime can be understood from the simultaneous presence of band carriers and incoherent states that are dynamically localized by the thermal lattice disorder.

cond-mat.mtrl-sci↗