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S. Ciuchi

Publications and source records attributed to S. Ciuchi.

At least 37 records · Page 2Linked to original sources
arXiv2008

Hopping dynamics of interacting polarons

We derive an effective cluster model to address the transport properties of mutually interacting small polarons. We propose a decoupling scheme where the hopping dynamics of any given particle is determined by separating out explicitly the degrees of freedom of its environment, which are treated as a statistical bath. The general cavity method developed here shows that the long-range Coulomb repulsion between the carriers leads to a net increase of the thermal activation barrier for electrical transport, and hence to a sizable reduction of the carrier mobility. A mean-field calculation of this effect is provided, based on the known correlation functions of the interacting liquid in two and three dimensions. The present theory gives a natural explanation of recent experiments performed in organic field-effect transistors with highly polarizable gate dielectrics, and might well find application in other classes of polaronic systems such as doped transition-metal oxides.

cond-mat.str-el↗
arXiv2008

Signatures of polaronic charge ordering in optical and dc conductivity using dynamical mean field theory

We apply dynamical mean field theory to study a prototypical model that describes charge ordering in the presence of both electron-lattice interactions and intersite electrostatic repulsion between electrons. We calculate the optical and d.c. conductivity, and derive approximate formulas valid in the limiting electron-lattice coupling regimes. In the weak coupling regime, we recover the usual behavior of charge density waves, characterized by a transfer of spectral weight due to the opening of a gap in the excitation spectrum. In the opposite limit of very strong electron-lattice coupling, instead, the charge ordering transition is signaled by a global enhancement of the optical absorption, with no appreciable spectral weight transfer. Such behavior is related to the progressive suppression of thermally activated charge defects taking place below the critical temperature. At intermediate values of the coupling within the polaronic regime, a complex behavior is obtained where both mechanisms of transfer and enhancement of spectral weight coexist.

cond-mat.str-el↗
arXiv2008

Current saturation and Coulomb interactions in organic single-crystal transistors

Electronic transport through rubrene single-crystal field effect transistors (FETs) is investigated experimentally in the high carrier density regime (n ~ 0.1 carrier/molecule). In this regime, we find that the current does not increase linearly with the density of charge carriers, and tends to saturate. At the same time, the activation energy for transport unexpectedly increases with increasing n. We perform a theoretical analysis in terms of a well-defined microscopic model for interacting Frohlich polarons, that quantitatively accounts for our experimental observations. This work is particularly significant for our understanding of electronic transport through organic FETs.

cond-mat.str-el↗
arXiv2008

Polaronic signatures in the optical properties of Nd$_{2-x}$Ce$_x$CuO$_4$

We investigate the temperature and doping dependence of the optical conductivity $σ(ω)$ of Nd$_{2-x}$Ce$_x$CuO$_4$ in terms of magnetic/lattice polaron formation. We employ dynamical mean-field theory in the context of the Holstein-t-J model where an exact analytical solution is available in the limit of infinite connectivity. We show that the pseudogap features in the optical conductivity of this compound can be associated to the formation of lattice polarons assisted by the magnetic interaction.

cond-mat.str-el↗
arXiv2007

Electron-phonon and electron-electron interactions in organic field effect transistors

Recent experiments have demonstrated that the performances of organic FETs strongly depend on the dielectric properties of the gate insulator. In particular, it has been shown that the temperature dependence of the mobility evolves from a metallic-like to an insulating behavior upon increasing the dielectric constant of the gate material. This phenomenon can be explained in terms of the formation of small polarons, due to the polar interaction of the charge carriers with the phonons at the organic/dielectric interface. Building on this model, the possible consequences of the Coulomb repulsion between the carriers at high concentrations are analyzed.

cond-mat.str-el↗
arXiv2007

Polaronic features in the optical properties of the Holstein-t-J model

We derive the exact solution for the optical conductivity $σ(ω)$ of one hole in the Holstein-t-J model in the framework of dynamical mean-field theory (DMFT). We investigate the magnetic and phonon features associated with polaron formation as a function of the exchange coupling $J$, of the electron-phonon interaction $λ$ and of the temperature. Our solution directly relates the features of the optical conductivity to the excitations in the single-particle spectral function, revealing two distinct mechanisms of closing and filling of the optical pseudogap that take place upon varying the microscopic parameters. We show that the optical absorption at the polaron crossover is characterized by a coexistence of a magnon peak at low frequency and a broad polaronic band at higher frequency. An analytical expression for $σ(ω)$ valid in the polaronic regime is presented.

cond-mat.str-el↗
arXiv2007

Optical properties of the Holstein-t-J model from dynamical mean-field theory

We employ dynamical mean-field theory to study the optical conductivity $σ(ω)$ of one hole in the Holstein-t-J model. We provide an exact solution for $σ(ω)$ in the limit of infinite connectivity. We apply our analysis to Nd$_{2-x}$Ce$_x$CuO$_4$. We show that our model can explain many features of the optical conductivity in this compounds in terms of magnetic/lattice polaron formation.

cond-mat.str-el↗
arXiv2006

Tunable Frohlich Polarons in Organic Single-Crystal Transistors

In organic field effect transistors (FETs), charges move near the surface of an organic semiconductor, at the interface with a dielectric. In the past, the nature of the microscopic motion of charge carriers -that determines the device performance- has been related to the quality of the organic semiconductor. Recently, it has been appreciated that also the nearby dielectric has an unexpectedly strong influence. The mechanisms responsible for this influence are not understood. To investigate these mechanisms we have studied transport through organic single crystal FETs with different gate insulators. We find that the temperature dependence of the mobility evolves from metallic-like to insulating-like with increasing the dielectric constant of the insulator. The phenomenon is accounted for by a two-dimensional Frohlich polaron model that quantitatively describes our observations and shows that increasing the dielectric polarizability results in a crossover from the weak to the strong polaronic coupling regime.

cond-mat.mtrl-sci↗
arXiv2006

Isotope effects in the Hubbard-Holstein model within dynamical mean-field theory

We study the isotope effects arising from the coupling of correlated electrons with dispersionless phonons by considering the Hubbard-Holstein model at half-filling within the dynamical mean-field theory. In particular we calculate the isotope effects on the quasi-particle spectral weight $Z$, the renormalized phonon frequency, and the static charge and spin susceptibilities. In the weakly correlated regime $U/t \lesssim 1.5$, where $U$ is the Hubbard repulsion and $t$ is the bare electron half-bandwidth, the physical properties are qualitatively similar to those characterizing the Holstein model in the absence of Coulomb repulsion, where the bipolaronic binding takes place at large electron-phonon coupling, and it reflects in divergent isotope responses. On the contrary in the strongly correlated regime $U/t \gtrsim 1.5$, where the bipolaronic metal-insulator transition becomes of first order, the isotope effects are bounded, suggesting that the first order transition is likely driven by an electronic mechanism, rather then by a lattice instability. These results point out how the isotope responses are extremely sensitive to phase boundaries and they may be used to characterize the competition between the electron-phonon coupling and the Hubbard repulsion.

cond-mat.str-el↗
arXiv2006

Optical properties of small polarons from dynamical mean-field theory

The optical properties of polarons are studied in the framework of the Holstein model by applying the dynamical mean-field theory. This approach allows to enlighten important quantitative and qualitative deviations from the limiting treatments of small polaron theory, that should be considered when interpreting experimental data. In the antiadiabatic regime, accounting on the same footing for a finite phonon frequency and a finite electron bandwidth allows to address the evolution of the optical absorption away from the well-understood molecular limit. It is shown that the width of the multiphonon peaks in the optical spectra depends on the temperature and on the frequency in a way that contradicts the commonly accepted results, most notably in the strong coupling case. In the adiabatic regime, on the other hand, the present method allows to identify a wide range of parameters of experimental interest, where the electron bandwidth is comparable or larger than the broadening of the Franck-Condon line, leading to a strong modification of both the position and the shape of the polaronic absorption. An analytical expression is derived in the limit of vanishing broadening, which improves over the existing formulas and whose validity extends to any finite-dimensional lattice. In the same adiabatic regime, at intermediate values of the interaction strength, the optical absorption exhibits a characteristic reentrant behavior, with the emergence of sharp features upon increasing the temperature -- polaron interband transitions -- which are peculiar of the polaron crossover, and for which analytical expressions are provided.

cond-mat.str-el↗
arXiv2005

Polarons and Bipolarons in Holstein and Holstein $t-J$ models by Dynamical Mean Field Theory

The results of a comparative study of electronic spectral properties as well as phonon Probability Distribution Function (PDF) are reported. The study is done using Dynamical Mean Field Theory for the half-filled spinless and spinful Holstein model and for a single hole in Holstein t-J model. Qualitative changes in phonon PDF signals a polaronic crossover while an electronic Metal Insulator Transition (MIT) due to pairing into a bipolaronic state can be seen from a gap in the electronic DOS or by the vanishing of the quasi particle spectral weight. MIT can be observed only at sufficiently high density provided the Coulomb repulsion is neglected. In the limit of low density the carrier show a polaronic behavior trough the development of a definite polarization shifting the average value of the phonon PDF. At large densities occupied and empty sites result an a bimodal the phonon PDF. At the polaron crossover fluctuation of phonon coordinates tends to be larger than those at any other coupling. In this regime Born-Oppenheimer approximation is shown to fail also when phonon frequency is much less then electron bandwidth. For a single hole in the t-J model a further source of localization is due to magnetic superexchange energy which tends to localize the spin-defect spreading due to the presence of the hole.

cond-mat.str-el↗
arXiv2005

Polaron Crossover and Bipolaronic Metal-Insulator Transition in the Holstein model at half-filling

The evolution of the properties of a finite density electronic system as the electron-phonon coupling is increased are investigated in the Holstein model using the Dynamical Mean-Field Theory (DMFT). We compare the spinless fermion case, in which only isolated polarons can be formed, with the spinful model in which the polarons can bind and form bipolarons. In the latter case, the bipolaronic binding occurs through a metal-insulator transition. In the adiabatic regime in which the phonon energy is small with respect to the electron hopping we compare numerically exact DMFT results with an analytical scheme inspired by the Born-Oppenheimer procedure. Within the latter approach,a truncation of the phononic Hilbert space leads to a mapping of the original model onto an Anderson spin-fermion model. In the anti-adiabatic regime (where the phonon energy exceeds the electronic scales) the standard treatment based on Lang-Firsov canonical transformation allows to map the original model on to an attractive Hubbard model in the spinful case. The separate analysis of the two regimes supports the numerical evidence that polaron formation is not necessarily associated to a metal-insulator transition, which is instead due to pairing between the carriers. At the polaron crossover the Born-Oppenheimer approximation is shown to break down due to the entanglement of the electron-phonon state.

cond-mat.str-el↗
arXiv2005

Spectral properties and isotope effect in strongly interacting systems: Mott-Hubbard insulator and polaronic semiconductor

We study the electronic spectral properties in two examples of strongly interacting systems: a Mott-Hubbard insulator with additional electron-boson interactions, and a polaronic semiconductor. An approximate unified framework is developed for the high energy part of the spectrum, in which the electrons move in a random field determined by the interplay between magnetic and bosonic fluctuations. When the boson under consideration is a lattice vibration, the resulting isotope effect on the spectral properties is similar in both cases, being strongly temperature and energy dependent, in qualitative agreement with recent photoemission experiments in the cuprates.

cond-mat.str-el↗
arXiv2005

Pairing and polarization in systems with retarded interactions

In a system where a boson (e.g, a phonon) of finite frequency $ω_0$ is coupled to electrons, two phenomena occur as the coupling is increased: electron pairing and polarization of the boson field. Within a path integral formalism and a Dynamical Mean-Field approach, we introduce {\it ad hoc} distribution function which allow us to pinpoint the two effects. When $ω_0$ is smaller than the bandwidth $D$, pairing and polarization occur for fairly similar couplings for all considered temperatures. When $ω_0 > D$, the two phenomena tend to coincide only for $T \gg ω_0$, but are no longer tied for low temperatures so that a state of paired particles without finite polarization is stabilized.

cond-mat.str-el↗
arXiv2005

Wigner crystallization in a polarizable medium

We present a variational study of the 2D and 3D Wigner crystal phase of large polarons. The method generalizes that introduced by S. Fratini,P.\ Qu{é}merais [Mod. Phys. Lett. B {\bf 12} 1003 (1998)]. We take into account the Wigner crystal normal modes rather than a single mean frequency in the minimization procedure of the variational free energy. We calculate the renormalized modes of the crystal as well as the charge polarization correlation function and polaron radius. The solid phase boundaries are determined via a Lindemann criterion, suitably generalized to take into account the classical-to-quantum cross-over. In the weak electron-phonon coupling limit, the Wigner crystal parameters are renormalized by the electron-phonon interaction leading to a stabilization of the solid phase for low polarizability of the medium. Conversely, at intermediate and strong coupling, the behavior of the system depends strongly on the polarizability of the medium. For weakly polarizable media, a density crossover occurs inside the solid phase when the renormalized plasma frequency approaches the phonon frequency. At low density, we have a renormalized polaron Wigner crystal, while at higher densities the electron-phonon interaction is weakened irrespective of the {\it bare} electron-phonon coupling. For strongly polarizable media, the system behaves as a Lorentz lattice of dipoles. The abrupt softening of the internal polaronic frequency predicted by Fratini and Quemerais is observed near the actual melting point only at very strong coupling, leading to a possible liquid polaronic phase for a wider range of parameters.

cond-mat.str-el↗
arXiv2004

Polaronic and nonadiabatic phase diagram from anomalous isotope effects

Isotope effects (IEs) are powerful tool to probe directly the dependence of many physical properties on the lattice dynamics. In this paper we invenstigate the onset of anomalous IEs in the spinless Holstein model by employing the dynamical mean field theory. We show that the isotope coefficients of the electron effective mass and of the dressed phonon frequency are sizeable also far away from the strong coupling polaronic crossover and mark the importance of nonadiabatic lattice fluctuations in the weak to moderate coupling region. We characterize the polaronic regime by the appearence of huge IEs. We draw a nonadiabatic phase diagram in which we identify a novel crossover, not related to polaronic features, where the IEs attain their largest anomalies.

cond-mat.str-el↗
arXiv2004

Polaron Crossover and Bipolaronic Metal-Insulator Transition in the half- filled Holstein model

The formation of a finite density multipolaronic state is analyzed in the context of the Holstein model using the Dynamical Mean-Field Theory. The spinless and spinful fermion cases are compared to disentangle the polaron crossover from the bipolaron formation. The exact solution of Dynamical Mean-Field Theory is compared with weak-coupling perturbation theory, non-crossing (Migdal), and vertex correction approximations. We show that polaron formation is not associated to a metal-insulator transition, which is instead due to bipolaron formation.

cond-mat.str-el↗