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V. Cataudella

Publications and source records attributed to V. Cataudella.

At least 91 records · Page 5Linked to original sources

Spectral, optical and transport properties of the adiabatic anisotropic Holstein model: Application to slightly doped organic semiconductors

Spectral, optical and transport properties of an anisotropic three-dimensional Holstein model are studied within the adiabatic approximation. The parameter regime is appropriate for organic semiconductors used in single crystal based field effect transistors. Different approaches have been used to solve the model: self-consistent Born approximation valid for weak electron-phonon coupling, coherent potential approximation exact for infinite dimensions, and numerical diagonalization for finite lattices. With increasing temperature, the width of the spectral functions gets larger and larger making the approximation of quasi-particle less accurate. On the contrary, their peak positions are never strongly renormalized in comparison with the bare ones. As expected, the density of states is characterized by an exponential tail corresponding to localized states at low temperature. For weak electron-lattice coupling, the optical conductivity follows a Drude behavior, while, for intermediate electron-lattice coupling, a temperature dependent peak is present at low frequency. For high temperatures and low particle densities, the mobility always exhibits a power-law behavior as function of temperature. With decreasing the particle density, at low temperature, the mobility shows a transition from metallic to insulating behavior. Results are discussed in connection with available experimental data.

cond-mat.str-el↗

Sharp transition for single polarons in the one-dimensional Su-Schrieffer-Heeger model

We study a single polaron in the Su-Schrieffer-Heeger (SSH) model using four different techniques (three numerical and one analytical). Polarons show a smooth crossover from weak to strong coupling, as a function of the electron-phonon coupling strength $λ$, in all models where this coupling depends only on phonon momentum $q$. In the SSH model the coupling also depends on the electron momentum $k$; we find it has a sharp transition, at a critical coupling strength $λ_c$, between states with zero and nonzero momentum of the ground state. All other properties of the polaron are also singular at $λ= λ_c$, except the average number of phonons in the polaronic cloud. This result is representative of all polarons with coupling depending on $k$ and $q$, and will have important experimental consequences (eg., in ARPES and conductivity experiments).

cond-mat.str-el↗

Stochastic dynamics for a single vibrational mode in molecular junctions

We propose a very accurate computational scheme for the dynamics of a classical oscillator coupled to a molecular junction driven by a finite bias, including the finite mass effect. We focus on two minimal models for the molecular junction: Anderson-Holstein (AH) and two-site Su-Schrieffer-Heeger (SSH) models. As concerns the oscillator dynamics, we are able to recover a Langevin equation confirming what found by other authors with different approaches and assessing that quantum effects come from the electronic subsystem only. Solving numerically the stochastic equation, we study the position and velocity distribution probabilities of the oscillator and the electronic transport properties at arbitrary values of electron-oscillator interaction, gate and bias voltages. The range of validity of the adiabatic approximation is established in a systematic way by analyzing the behaviour of the kinetic energy of the oscillator. Due to the dynamical fluctuations, at intermediate bias voltages, the velocity distributions deviate from a gaussian shape and the average kinetic energy shows a non monotonic behaviour. In this same regime of parameters, the dynamical effects favour the conduction far from electronic resonances where small currents are observed in the infinite mass approximation. These effects are enhanced in the two-site SSH model due to the presence of the intermolecular hopping t. Remarkably, for sufficiently large hopping with respect to tunneling on the molecule, small interaction strengths and at intermediate bias (non gaussian regime), we point out a correspondence between the minima of the kinetic energy and the maxima of the dynamical conductance.

cond-mat.mes-hall↗

Electron-lattice and strain effects in manganite heterostructures: the case of a single interface

A correlated inhomogeneous mean-field approach is proposed in order to study a tight-binding model of the manganite heterostructures (LaMnO3)2n/(SrMnO3)n with average hole doping x = 1/3. Phase diagrams, spectral and optical properties of large heterostructures (up to 48 sites along the growth direction) with a single interface are discussed analyzing the effects of electron-lattice anti-adiabatic fluctuations and strain. The formation of a metallic ferromagnetic interface is quite robust with varying the strength of electron-lattice coupling and strain, though the size of the interface region is strongly dependent on these interactions. The density of states never vanishes at the chemical potential due to the formation of the interface, but it shows a rapid suppression with increasing the electron-lattice coupling. The in-plane and out-of-plane optical conductivities show sharp differences since the in-plane response has metallic features, while the out-of-plane one is characterized by a transfer of spectral weight to high frequency. The in-plane response mainly comes from the region between the two insulating blocks, so that it provides a clear signature of the formation of the metallic ferromagnetic interface.

cond-mat.str-el↗

Multiple double-exchange mechanism by Mn$^{2+}$-doping in manganite compounds

Double-exchange mechanisms in RE$_{1-x}$AE$_{x}$MnO$_{3}$ manganites (where RE is a trivalent rare-earth ion and AE is a divalent alkali-earth ion) relies on the strong exchange interaction between two Mn$^{3+}$ and Mn$^{4+}$ ions through interfiling oxygen 2p states. Nevertheless, the role of RE and AE ions has ever been considered "silent" with respect to the DE conducting mechanisms. Here we show that a new path for DE-mechanism is indeed possible by partially replacing the RE-AE elements by Mn$^{2+}$-ions, in La-deficient La$_{x}$MnO$_{3-δ}$ thin films. X-ray absorption spectroscopy demonstrated the relevant presence of Mn$^{2+}$ ions, which is unambiguously proved to be substituted at La-site by Resonant Inelastic X-ray Scattering. Mn$^{2+}$ is proved to be directly correlated to the enhanced magneto-transport properties because of an additional hopping mechanism trough interfiling Mn$^{2+}$-ions, theoretically confirmed by calculations within the effective single band model. The very idea to use Mn$^{2+}$ both as a doping element and an ions electronically involved in the conduction mechanism, has never been foreseen, revealing a new phenomena in transport properties of manganites. More important, such a strategy might be also pursed in other strongly correlated materials.

cond-mat.str-el↗

Behavior of quantum entropies in polaronic systems

Quantum entropies and state distances are analyzed in polaronic systems with short range (Holstein model) and long range (Fr$\ddot{o}$hlich model) electron-phonon coupling. These quantities are extracted by a variational wave function which describes very accurately polaron systems with arbitrary size in all the relevant parameter regimes. With the use of quantum information tools, the crossover region from weak to strong coupling regime can be characterized with high precision. Then, the linear entropy is found to be very sensitive to the range of the electron-phonon coupling and the adiabatic ratio. Finally, the entanglement entropy is studied as a function of the system size pointing out that it not bounded, but scales as the logarithm of the size either for weak electron-phonon coupling or for short range interaction. This behavior is ascribed to the peculiar coupling induced by the single electron itinerant dynamics on the phonon subsystem.

cond-mat.str-el↗

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↗

Interplay between charge-lattice interaction and strong electron correlations in cuprates: phonon anomaly and spectral kinks

We investigate the interplay between strong electron correlations and charge-lattice interaction in cuprates. The coupling between half breathing bond stretching phonons and doped holes in the t-t'-J model is studied by limited phonon basis exact diagonalization method. Nonadiabatic electron-phonon interaction leads to the splitting of the phonon spectral function at half-way to the zone boundary at $\vec{q}_s=\{(\pm π/ 2, 0), (0, \pm π/ 2) \}$ and to low energy kink feature in the electron dispersion, in agreement with experimental observations. Another kink due to strong electron correlation effects is observed at higher energy, depending on the strength of the charge-lattice coupling.

cond-mat.str-el↗

Evolution of magnetic phases and orbital occupation in (SrMnO3)n/(LaMnO3)2n superlattices

The magnetic and electronic modifications induced at the interfaces in (SrMnO$_{3}$)$_{n}$/(LaMnO$_{3}$)$_{2n}$ superlattices have been investigated by linear and circular magnetic dichroism in the Mn L$_{2,3}$ x-ray absorption spectra. Together with theoretical calculations, our data demonstrate that the charge redistribution across interfaces favors in-plane ferromagnetic (FM) order and $e_{g}(x^{2}-y^{2})$ orbital occupation, in agreement with the average strain. Far from interfaces, inside LaMnO$_3$, electron localization and local strain favor antiferromagnetism (AFM) and $e_{g}(3z^{2}-r^{2})$ orbital occupation. For $n=1$ the high density of interfacial planes ultimately leads to dominant FM order forcing the residual AFM phase to be in-plane too, while for $n \geq 5$ the FM layers are separated by AFM regions having out-of-plane spin orientation.

cond-mat.str-el↗

Localization-delocalization transition of a polaron near an impurity

We solve the problem of polaron localization on an attractive impurity by means of direct-space Diagrammatic Monte Carlo implemented for the system in the thermodynamic limit. In particular we determine the ground state phase diagram in dependence on the electron-phonon coupling and impurity potential strength for the whole phonon frequency range. Including the quantum phonon dynamics we find and characterize a new phase which is missing in the zero phonon-frequency limit (adiabatic approximation), where self-trapped polarons are not localized at shallow impurities. We predict and show that in the vicinity of the localization transition a region with a mixture of weak- and strong-coupling spectral response is realized.

cond-mat.str-el↗

Charge dynamics of doped holes in high Tc cuprates - A clue from optical conductivity

The charge dynamics in weakly hole doped high temperature superconductors is studied in terms of the accurate numerical solution to a model of a single hole interacting with a quantum lattice in an antiferromagnetic background, and accurate far-infrared ellipsometry measurements. The experimentally observed two electronic bands in the infrared spectrum can be identified in terms of the interplay between the electron correlation and electron-phonon interaction resolving the long standing mystery of the mid-infrared band.

cond-mat.str-el↗

Non-local composite spin-lattice polarons in high temperature superconductors

The non-local nature of the polaron formation in t-t'-t"-J model is studied in large lattices up to 64 sites by developing a new numerical method. We show that the effect of longer-range hoppings t' and t" is a large anisotropy of the electron-phonon interaction (EPI) leading to a completely different influence of EPI on the nodal and antinodal points in agreement with the experiments. Furthermore, nonlocal EPI preserves polaron's quantum motion, which destroys the antiferromagnetic order effectively, even at strong coupling regime, although the quasi-particle weight in angle-resolved-photoemission spectroscopy is strongly suppressed.

cond-mat.str-el↗

Temperature dependence of the angle resolved photoemission spectra in the undoped cuprates: self-consistent approach to the t-J-Holstein model

We develop a novel self-consistent approach for studying the angle resolved photoemission spectra (ARPES) of a hole in the t-J-Holstein model giving perfect agreement with numerically exact Diagrammatic Monte Carlo data at zero temperature for all regimes of electron-phonon coupling. Generalizing the approach to finite temperatures we find that the anomalous temperature dependence of the ARPES in undoped cuprates is explained by cooperative interplay of coupling of the hole to magnetic fluctuations and strong electron-phonon interaction.

cond-mat.str-el↗

Rashba quantum wire: exact solution and ballistic transport

The effect of Rashba spin-orbit interaction in quantum wires with hard-wall boundaries is discussed. The exact wave function and eigenvalue equation are worked out pointing out the mixing between the spin and spatial parts. The spectral properties are also studied within the perturbation theory with respect to the strength of the spin-orbit interaction and diagonalization procedure. A comparison is done with the results of a simple model, the two-band model, that takes account only of the first two sub-bands of the wire. Finally, the transport properties within the ballistic regime are analytically calculated for the two-band model and through a tight-binding Green function for the entire system. Single and double interfaces separating regions with different strengths of spin-orbit interaction are analyzed injecting carriers into the first and the second sub-band. It is shown that in the case of a single interface the spin polarization in the Rashba region is different from zero, and in the case of two interfaces the spin polarization shows oscillations due to spin selective bound states.

cond-mat.mes-hall↗

Direct Observation of Spectroscopic Inhomogeneities on La0.7Sr0.3MnO3 Thin Films by Scanning Tunnelling Spectroscopy

Scanning tunnelling spectroscopy measurements were performed on La0.7Sr0.3MnO3 thin films both at room temperature and liquid nitrogen temperature. While no inhomogeneities were recorded at liquid nitrogen temperature on any sample, a clear evidence of spectroscopic inhomogeneities was evident in tunnelling conductance maps collected at room temperature. The investigated films exhibit a transition from a ferromagnetic-metallic to a paramagnetic-insulating state around room temperature, so that the observed spectroscopic features can be interpreted within a phase separation scenario. A quantitative analysis of the observed spectroscopic features is reported pointing out the occurrence of phase modulation and its possible correlation with the properties of the system.

cond-mat.str-el↗

A cellular automaton for the factor of safety field in landslides modeling

Landslide inventories show that the statistical distribution of the area of recorded events is well described by a power law over a range of decades. To understand these distributions, we consider a cellular automaton to model a time and position dependent factor of safety. The model is able to reproduce the complex structure of landslide distribution, as experimentally reported. In particular, we investigate the role of the rate of change of the system dynamical variables, induced by an external drive, on landslide modeling and its implications on hazard assessment. As the rate is increased, the model has a crossover from a critical regime with power-laws to non power-law behaviors. We suggest that the detection of patterns of correlated domains in monitored regions can be crucial to identify the response of the system to perturbations, i.e., for hazard assessment.

physics.geo-ph↗

Finite driving rate and anisotropy effects in landslide modeling

In order to characterize landslide frequency-size distributions and individuate hazard scenarios and their possible precursors, we investigate a cellular automaton where the effects of a finite driving rate and the anisotropy are taken into account. The model is able to reproduce observed features of landslide events, such as power-law distributions, as experimentally reported. We analyze the key role of the driving rate and show that, as it is increased, a crossover from power-law to non power-law behaviors occurs. Finally, a systematic investigation of the model on varying its anisotropy factors is performed and the full diagram of its dynamical behaviors is presented.

physics.geo-ph↗

On the validity of the Franck-Condon principle in the optical spectroscopy: optical conductivity of the Fröhlich polaron

The optical absorption of the Fröhlich polaron model is obtained by an approximation-free Diagrammatic Monte Carlo method and compared with two new approximate approaches that treat lattice relaxation effects in different ways. We show that: i) a strong coupling expansion, based on the the Franck-Condon principle, well describes the optical conductivity for large coupling strengths ($α>10$); ii) a Memory Function Formalism with phonon broadened levels reproduces the optical response for weak coupling strengths ($α<6$) taking the dynamic lattice relaxation into account. In the coupling regime $6<α<10$ the optical conductivity is a rapidly changing superposition of both Franck-Condon and dynamic contributions.

cond-mat.str-el↗