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We investigate a two-qubit open Rabi model, focusing on local ergotropy--the maximum extractable work by acting solely on the two qubits--within a parameter regime where a Berezinskii-Kosterlitz-Thouless dissipative phase transition occurs. First, we aim to define a protocol for charging, storing, and discharging the two-qubit system, interpreted as the working principle of an open quantum battery. Second, we examine the impact of the phase transition on ergotropy and identify potential markers. To achieve these goals, we construct an ad-hoc charging unitary operator, leveraging our knowledge of the ground state near the transition to bring it into a decoherence-free state during storage. Using state-of-the-art numerics based on matrix product state representation, we reveal that high couplings to an external bath approximately double the local ergotropy immediately post-charging. Over time we observe oscillatory behaviors in ergotropy and its fluctuations, which undergo significant changes near the transition, signaling its occurrence. Furthermore, we optimize local ergotropy over time using a physically inspired ansatz, enabling work extraction at a generic time (local ergotropy never reaches zero). Our work proposes a tunable, experimentally realizable protocol for work extraction, leveraging decoherence-free states and phase transitions. Additionally, it sheds light on the complex interaction between local ergotropy and quantum phase transitions., Comment: 10 pages with 5 figures, and 5 appendices with 2 figures

The physics of quantum states beyond thermodynamic equilibrium represents a fascinating and cutting-edge research. Using numerical state-of-the-art approaches, we observe dynamical quantum phase transitions in the dissipative two-qubit Rabi model. By quenching the qubits-oscillator coupling, the system (Rabi + Environment) exhibits dynamical quantum phase transitions signalled by kinks of Loschmidt echo's rate function at parameter values close to thermodynamic transition. Notably, these transitions also manifest in two-qubit entanglement. While at equilibrium one class of Beretzinski-Kosterlitz-Thouless-type transitions occurs, non-equilibrium conditions reveal two classes of dynamical critical phenomena, depending on qubits' interactions and entanglement. When qubits directly interact, the kink critical exponent describes a linear behavior, reminiscent of nearest neighbors Ising chains, with short-range interactions dominating at short times. Conversely, non-interacting qubits exhibit critical exponents much smaller than unity due to bath-induced long-range interactions. These findings shed light on the complex behavior of dynamical quantum phase transitions in non-integrable models, showing unusual entanglement features and the environment's significant role., Comment: 8 pages, 6 figures in main text; 8 pages, 6 figures in supplemental material

We investigate a system of two coupled qubits interacting with an Ohmic bath as a physical model for the implementation of one logical qubit. In this model, the interaction with the other qubit represents unitary noise while the Ohmic bath is responsible for finite temperature. In the presence of a one-dimensional decoherence-free subspace (DFS), we show that, while this is not sufficient to protect a qubit from decoherence, it can be exploited to encode one logical qubit with greater performance than the physical one. We show different possible strategies for the optimal encoding of a logical qubit through a numerical analysis based on matrix product states. This method reproduces faithfully the results of perturbative calculations, but it can be extended to cases of crucial interest for physical implementations, e.g., in the case of strong coupling with the bath. As a result, a logical qubit encoded in the subspace which is the direct sum of the antiferromagnetic states in Bell basis, the DFS and the one in the triplet, is the optimally robust one, as it takes advantage of both the anchoring to the DFS and the protection from the antiferromagnetic interaction. These authors contributed equally to this work, and their names are listed in alphabetical order., Comment: 13 pages, 12 figures

Many-body interactions play a crucial role in quantum topological systems, being able to impact or alter the topological classifications of non-interacting fermion systems. In open quantum systems, where interactions with the environment cause dissipation and decoherence of the fermionic dynamics, the absence of hermiticity in the subsystem Hamiltonian drastically reduces the stability of the topological phases of the corresponding closed systems. Here we investigate the non-perturbative effects induced by the environment on the prototype Su-Schrieffer-Heeger chain coupled to local harmonic oscillator baths through either intra-cell or inter-cell transfer integrals. Despite the common view, this type of coupling, if suitably engineered, can even induce a transition to topological phases. By using a world-line Quantum Monte Carlo technique we determine the phase diagram of the model proving that the bimodality of the probability distribution of the polarization signals the emergence of the topological phase. We show that a qualitative description can be obtained in terms of an approach based on the Cluster Perturbation Theory providing, in particular, a non-Hermitian Hamiltonian for the fermionic subsystem and insights on the dissipative dynamics., Comment: 5 figures

Using a dissipative quantum Rabi model, we study the dynamics of a slow qubit coupled to a fast quantum harmonic oscillator interacting with a bosonic bath from weak to strong and ultra-strong coupling regimes. Solving the quantum Heisenberg equations of motion, perturbative in the internal coupling between qubit and oscillator, we derive functional relationships directly linking the qubit coordinates in the Bloch sphere to oscillator observables. We then perform accurate time-dependent Matrix Product State simulations, and compare our results both with the analytical solutions of the Heisenberg equations of motion, and with numerical solutions of a Lindblad master equation, perturbative in the external coupling between oscillator and environment. Indeed, we show that, up to the strong coupling regime, the qubit state accurately fulfills the derived functional relationships. We analyse in detail the case of a qubit starting with generic coordinates on the Bloch sphere of which we evaluate the three components of the Bloch vector through the averages of oscillator observables. Interestingly, a weak to intermediate oscillator coupling to the bath is able to simplify the Bloch vector evaluation since qubit-oscillator relationships are more immediate. Moreover, by monitoring the qubit fidelity with respect to free limit, we find the parameter regime where the combined effect of internal and external couplings is able to hinder the reliable evaluation of the qubit Bloch vector. Finally, in the ultra-strong coupling regime, non-Markovian effects become robust and the dynamics of qubit and oscillator are inextricably entangled making the qubit Bloch vector evaluation difficult., Comment: 24 pages, 15 figures

We show that tailoring the dissipative environment allows to change the features of continuous quantum phase transitions and, even, induce first order transitions in ferromagnetic spin chains. In particular, using a numerically exact quantum Monte Carlo method for the paradigmatic Ising chain of one-half spins in a transverse magnetic field, we find that spin couplings to local quantum boson baths in the Ohmic regime can drive the transition from the second to the first order even for a low dissipation strength. Moreover, using a variational mean-field approach for the treatment of spin-spin and spin-boson interactions, we point out that phase discontinuities are ascribable to a dissipation induced effective magnetic field which is intrinsically related to the bath quantum fluctuations and vanishes for classical baths. The effective field is able to switch the sign of the magnetization along the direction of spin-spin interactions. The results can be potentially tested in recent quantum simulators and are relevant for quantum sensing since the spin system could not only detect the properties of non-classical baths, but also the effects of weak magnetic fields., Comment: 5 pages, 4 figures

By using worldline Monte Carlo technique, matrix product state and a variational approach \`a la Feynman, we investigate the equilibrium properties and relaxation features of the dissipative quantum Rabi model, where a two level system is coupled to a linear harmonic oscillator embedded in a viscous fluid. We show that, in the Ohmic regime, a Beretzinski-Kosterlitz-Thouless quantum phase transition occurs by varying the coupling strength between the two level system and the oscillator. This is a non perturbative result, occurring even for extremely low dissipation magnitude. By using state-of-the-art theoretical methods, we unveil the features of the relaxation towards the thermodynamic equilibrium, pointing out the signatures of quantum phase transition both in the time and frequency domains. We prove that, for low and moderate values of the dissipation, the quantum phase transition occurs in the deep strong coupling regime. We propose to realize this model by coupling a flux qubit and a damped LC oscillator.

We theoretically study the superconducting properties of multi-band two-dimensional transition metal oxide superconductors by analyzing not only the role played by conventional singlet pairings, but also by the triplet order parameters, favored by the spin-orbit couplings present in these ma- terials. In particular, we focus on the two-dimensional electron gas at the (001) interface between LaAlO3 and SrTiO3 band insulators where the low electron densities and the sizeable spin-orbit couplings affect the superconducting features. Our theoretical study is based on an extended su- perconducting mean-field analysis of the typical multi-band tight-binding Hamiltonian, as well as on a parallel analysis of the effective electronic bands in the low-momentum limit, including static on-site and inter-site intra-band attractive potentials under applied magnetic fields. The presence of triplet pairings is able to strongly reduce the singlet order parameters which, as a result, are no longer a monotonic function of the charge density. The interplay between the singlet and the triplet pairings affects the dispersion of quasi-particle excitations in the Brillouin zone and also induces anisotropy in the superconducting behavior under the action of an in-plane and of an out- of-plane magnetic fields. Finally, non-trivial topological superconducting states become stable as a function of the charge density, as well as of the magnitude and of the orientation of the magnetic field. In addition to the chiral, time-reversal breaking, topological superconducting phase, favored by the linear Rashba couplings and by the on-site attractive potentials in the presence of an out- of-plane magnetic field, we find that a time-reversal invariant topological helical superconducting phase is promoted by not-linear spin-orbit couplings and by the inter-site attractive interactions in the absence of magnetic field.

A new variational approach is proposed at zero temperature for a finite density of charge carriers in order to study ground state features of the Frohlich model including electron-electron and electron-phonon interactions. Within the intermediate electron-phonon coupling regime characteristic of large polarons, the approach takes into account on the same footing polaron formation and polaron-polaron correlations which play a relevant role going from low to high charge densities. Including fluctuations on top of the variational approach, the electronic spectral function is calculated from the weak to the intermediate electron-phonon coupling regime finding a peak-dip-hump line shape. The spectra are characterized by a transfer of spectral weight from the incoherent hump to the coherent peak with decreasing the electron-phonon coupling constant or with increasing the particle density. Three different density regimes stem out: the first, at low densities, where the features of a single large polaron with a substantial incoherent spectral weight are not modified by charge carrier interactions; a second one, at intermediate densities, where the polaronic liquid shows a rapid crossover from incoherent to coherent dynamics; the third one, at high densities, where screening effects are so prominent that the system presents a conventional metallic phase. The results obtained in the low to intermediate density regime turn out to be relevant for the interpretation of recent tunneling and photoemission experiments in SrTiO3-based systems., Comment: 16 pages, 6 figures

Linear and non-linear transport properties through an atomic-size point contact based on oxides two-dimensional electron gas is examined using the tight-binding method and the $\mathbf{k\cdot p}$ approach. The ballistic transport is analyzed in contacts realized at the (001) interface between band insulators $LaAlO_3$ and $SrTiO_3$ by using the Landauer-B\"uttiker method for many sub-bands derived from three Ti 3d orbitals ($d_{yz}$, $d_{zx}$ and $d_{xy}$) in the presence of an out-of-plane magnetic field. We focus especially on the role played by the atomic spin-orbit coupling and the inversion symmetry breaking term pointing out three transport regimes: the first, at low energies, involving the first $d_{xy}$-like sub-bands, where the conductance quantization is robust; a second one, at intermediate energies, entailing further $d_{xy}$-like sub-bands, where the sub-band splitting induced by the magnetic field is quenched; the third one, where the mixing between light $d_{xy}$-like, heavy $d_{yz}$-like and $d_{zx}$-like sub-bands is so strong that the conductance plateaus turn out to be very narrow. Very good agreement is found with recent experiments exploring the transport properties at low energies., Comment: 11 pages, 9 figures

We investigate a paradigmatic case of topological superconductivity in a one-dimensional nanowire with $d-$orbitals and a strong interplay of spin-orbital degrees of freedom due to the competition of orbital Rashba interaction, atomic spin-orbit coupling, and structural distortions. We demonstrate that the resulting electronic structure exhibits an orbital dependent magnetic anisotropy which affects the topological phase diagram and the character of the Majorana bound states (MBSs). The inspection of the electronic component of the MBSs reveals that the spin-orbital polarization generally occurs along the direction of the applied Zeeeman magnetic field, and transverse to the magnetic and orbital Rashba fields. The competition of symmetric and antisymmetric spin-orbit coupling remarkably leads to a misalignment of the spin and orbital moments transverse to the orbital Rashba fields, whose manifestation is essentially orbital dependent. The behavior of the spin-orbital polarization along the applied Zeeman field reflects the presence of multiple Fermi points with inequivalent orbital character in the normal state. Additionally, the response to variation of the electronic parameters related with the degree of spin-orbital entanglement leads to distinctive evolution of the spin-orbital polarization of the MBSs. These findings unveil novel paths to single-out hallmarks relevant for the experimental detection of MBSs., Comment: 14 pages, 8 figures

The role of local electron-vibration and electron-electron interactions on the thermoelectric properties of molecular junctions is theoretically analyzed focusing on devices based on fullerene molecules. A self-consistent adiabatic approach is used in order to obtain a non-perturbative treatment of the electron coupling to low frequency vibrational modes, such as those of the molecule center of mass between metallic leads. The approach incorporates also the effects of strong electron-electron interactions between molecular degrees of freedom within the Coulomb blockade regime. The analysis is based on a one-level model which takes into account the relevant transport level of fullerene and its alignment to the chemical potential of the leads. We demonstrate that only the combined effect of local electron-vibration and electron-electron interactions is able to predict the correct behavior of both the charge conductance and the Seebeck coefficient in very good agreement with available experimental data., Comment: 13 pages, 4 figures

We determine the optimal conditions to achieve topological superconducting phases having spin-singlet pairing for a planar nanowire with finite lateral width in the presence of an in-plane external magnetic field. We employ a microscopic description that is based on a three-band electronic model including both the atomic spin-orbit coupling and the inversion asymmetric potential at the interface between oxide band-gap insulators. We consider amplitudes of the pairing gap, spin-orbit interactions and electronic parameters that are directly applicable to nanowires of LaAlO$_3$-SrTiO$_3$. The lateral confinement introduces a splitting of the $d$-orbitals that alters the orbital energy hierarchy and significantly affects the electron filling dependence of the topological phase diagram. Due to the orbital directionality of the $t_{2g}$-states, we find that in the regime of strong confinement the onset of topological phases is pinned at electron filling where the quasi flat heavy bands start to get populated. The increase of the nanowire thickness leads to a changeover from sparse-to-dense distribution of topologically non-trivial domains which occurs at the cross-over associated to the orbital population inversion. These findings are corroborated by a detailed analysis of the most favorable topological superconducting phases in the electron doping-magnetic field plane highlighting the role of orbital selective confinement., Comment: 13 pages, 8 figures, submitted

We present a theoretical analysis of Dirac magneto-plasmons in topological insulator nanowires. We discuss a cylindrical geometry where Berry phase effects induce the opening of a gap at the neutrality point. By taking into account surface electron wave functions introduced in previous papers and within the random phase approximation, we provide an analytical form of the dynamic structure factor. Dispersions and spectral weights of Dirac plasmons are studied with varying the radius of the cylinder, the surface doping, and the strength of an external magnetic field. We show that, at zero surface doping, inter-band damped plasmon-like excitations form at the surface and survive at low electron surface dopings ($\sim 10^{10} cm^{-2} $). Then, we point out that the plasmon excitations are sensitive to the Berry phase gap closure when an external magnetic field close to half quantum flux is introduced. Indeed, a well-defined magneto-plasmon peak is observed at lower energies upon the application of the magnetic field. Finally, the increase of the surface doping induces a crossover from damped inter-band to sharp intra-band magneto-plasmons which, as expected for large radii and dopings ($\sim 10^{12} cm^{-2}$), approach the proper limit of a two-dimensional surface., Comment: 18 pages, 11 figures, 2 Appendices

Soft nanosystems are electronic nanodevices, such as suspended carbon nanotubes or molecular junctions, whose transport properties are modulated by soft internal degrees of freedom, for example slow vibrational modes. In this review, effects of the electron-vibration coupling on the charge and heat transport of soft nanoscopic systems are theoretically investigated in the presence of time-dependent perturbations, such as a forcing antenna or pumping terms between the leads and the nanosystem. A well established approach valid for non-equilibrium adiabatic regimes is generalized to the case where external time-dependent perturbations are present. Then, a number of relevant applications of the method are reviewed for systems composed by a quantum dot (or molecule) described by a single electronic level coupled to a vibrational mode. Before introducing time-dependent perturbations, the range of validity of the adiabatic approach is discussed showing that a very good agreement with the results of an exact quantum calculation is obtained in the limit of low level occupation. Aim of this review has been to discuss common features of different soft nanosystems under external drive. The most interesting effects induced by time-dependent perturbations are obtained when the external forcing is nearly resonant with the slow vibrational modes. Indeed, not only the external forcing can enhance the electronic response, but it also induces nonlinear regimes where the interplay between electronic and vibrational degrees of freedom plays a major role., Comment: 21 pages, 14 figures

Stimulated by the recent realization of three dimensional topological insulator nanowire interfer- ometers, a theoretical analysis of quantum interference effects on the low energy spectrum of Bi2Se3 nanowires is presented. The electronic properties are analyzed in nanowires with circular, square and rectangular cross-sections starting from a continuum three dimensional model with particular emphasis on magnetic and geometrical effects. The theoretical study is based on numerically exact diagonalizations of the discretized model for all the geometries. In the case of the cylindrical wire, an approximate analytical solution of the continuum model is also discussed. Although a magnetic field corresponding to half quantum flux is expected to close the band gap induced by Berry phase, in all the studied geometries with finite area cross-sections, the gap closes for magnetic fields typically larger than those expected. Furthermore, unexpectedly, due to geometrical quantum interference effects, for a rectangular wire with a sufficiently large aspect ratio and smaller side ranging from 50{\deg}A and 100{\deg}A, the gap closes for a specific finite area cross-section without the application of a magnetic field., Comment: 11 pages, 7 figures, submitted regular article

The linear thermoelectric properties of molecular junctions are theoretically studied close to room temperature within a model including electron-electron and electron-vibration interactions on the molecule. A nonequilibrium adiabatic approach is generalized to include large Coulomb repulsion through a self-consistent procedure and applied to the investigation of large molecules, such as fullerenes, within the Coulomb blockade regime. The focus is on the phonon thermal conductance which is quite sensitive to the effects of strong electron-electron interactions within the intermediate electron-vibration coupling regime. The electron-vibration interaction enhances the phonon and electron thermal conductance, and it reduces the charge conductance and the thermopower inducing a decrease of the thermoelectric figure of merit. For realistic values of junction parameters, the peak values of the thermoelectric figure of merit are still of the order of unity since the phonon thermal conductance can be even smaller than the electron counterpart., Comment: 8 pages, 1 Appendix, 12 pages. arXiv admin note: substantial text overlap with arXiv:1406.3771

We calculate the spectral function of the one dimensional Hubbard-Holstein model using the time dependent Density Matrix Renormalization Group (tDMRG), focusing on the regime of large local Coulomb repulsion, and away from electronic half-filling. We argue that, from weak to intermediate electron-phonon coupling, phonons interact only with the electronic charge, and not with the spin degrees of freedom. For strong electron-phonon interaction, spinon and holon bands are not discernible anymore and the system is well described by a spinless polaronic liquid. In this regime, we observe multiple peaks in the spectrum with an energy separation corresponding to the energy of the lattice vibrations (i.e., phonons). We support the numerical results by introducing a well controlled analytical approach based on Ogata-Shiba's factorized wave-function, showing that the spectrum can be understood as a convolution of three contributions, originating from charge, spin, and lattice sectors. We recognize and interpret these signatures in the spectral properties and discuss the experimental implications., Comment: 8 pages, 7 figures

The thermoelectric properties of a molecular junction model, appropriate for large molecules such as fullerenes, are studied within a non-equilibrium adiabatic approach in the linear regime at room temperature. A self-consistent calculation is implemented for electron and phonon thermal conductance showing that both increase with the inclusion of the electron-vibration coupling. Moreover, we show that the deviations from the Wiedemann-Franz law are progressively reduced upon increasing the interaction between electronic and vibrational degrees of freedom. Consequently, the junction thermoelectric efficiency is substantially reduced by the electron-vibration coupling. Even so, for realistic parameters values, the thermoelectric figure of merit can still have peaks of the order of unity. Finally, in the off-resonant electronic regime, our results are compared with those of an approach which is exact for low molecular electron densities. We give evidence that in this case additional quantum effects, not included in the first part of this work, do not affect significantly the junction thermoelectric properties in any temperature regime., Comment: 15 pages, 11 figures, 2 Appendices

Spectral and transport properties of small molecule single-crystal organic semiconductors have been theoretically analyzed focusing on oligoacenes, in particular on the series from naphthalene to rubrene and pentacene aiming to show that the inclusion of different electron-phonon couplings is of paramount importance to interpret accurately the properties of prototype organic semiconductors. While, in the case of rubrene, the coupling between charge carriers and low frequency inter-molecular modes is sufficient for a satisfactory description of spectral and transport properties, the inclusion of electron coupling to both low frequency inter-molecular and high frequency intra-molecular vibrational modes is needed to account for the temperature dependence of transport properties in smaller oligoacenes., Comment: 18 pages, 5 figures, Review

We study a Thouless pump realized with an elastically \textit{deformable quantum dot} whose center of mass follows a non-linear stochastic dynamics. The interplay of noise, non-linear effects, dissipation and interaction with an external time-dependent driving on the pumped charge is fully analyzed. The results show that the quantum pumping mechanism not only is not destroyed by the force fluctuations, but it becomes stronger when the forcing signal frequency is tuned close to the resonance of the vibrational mode. The robustness of the quantum pump with temperature is also investigated and an exponential decay of the pumped charge is found when the coupling to the vibrational mode is present. Implications of our results for nano-electromechanical systems are also discussed., Comment: 2 Appendices and figures added

Single-parameter adiabatic charge pumping, induced by a nearby radio-frequency antenna, is achieved in suspended carbon nanotubes close to the mechanical resonance. The charge pumping is due to an important dynamic adjustment of the oscillating motion to the antenna signal and it is different from the mechanism active in the two-parameter pumping. Finally, the second harmonic oscillator response shows an interesting relationship with the first harmonic that should be experimentally observed.

We propose a microscopic model for a nanoelectromechanical system made by a radio-frequency driven suspended carbon nanotube (CNT) in the presence of an external magnetic field perpendicular to the current. As a main result, we show that, when the device is driven far from equilibrium, one can tune the CNT mechanical properties by varying the external magnetic field. Indeed, the magnetic field affects the CNT bending mode dynamics inducing an enhanced damping as well as a noise term due to the electronic phase fluctuations. The quality factor, as observed experimentally, exhibits a quadratic dependence on external magnetic field strength. Finally, CNT resonance frequencies as a function of gate voltage acquire, increasing the magnetic field strength, a peculiar dip-peak structure that should be experimentally observed., Comment: 15 pages, 9 figures, submitted to Phys. Rev. B

The formation of the electron-phonon induced bipolaron is shown to be feasible in organic semiconductors at the interface with dielectric gates due to the coupling of the carriers with interface vibrational modes and to the weak to intermediate strength of bulk electron-electron interaction. The polaronic bound states are found to be quite robust in a model with realistic strengths of electron coupling to both bulk and interface phonons. The crossover to nearly on-site bipolarons occurs for coupling values much smaller than those for nearly on-site polarons, but, on the other hand, it gives rise to an activated behavior of mobility with much larger activation energies. The results are discussed in connection with rubrene field-effect transistors., Comment: 5 pages, 3 figures, ccepted for publication in EPL

We study a general model describing a self-detecting single electron transistor realized by a suspended carbon nanotube actuated by a nearby antenna. The main features of the device, recently observed in a number of experiments, are accurately reproduced. When the device is in a low current-carrying state, a peak in the current signals a mechanical resonance. On the contrary, a dip in the current is found in high current-carrying states. In the nonlinear vibration regime of the resonator, we are able to reproduce quantitatively the characteristic asymmetric shape of the current-frequency curves. We show that the nonlinear effects coming out at high values of the antenna amplitude are related to the effective nonlinear force induced by the electronic flow. The interplay between electronic and mechanical degrees of freedom is understood in terms of an unifying model including in an intrinsic way the nonlinear effects driven by the external probe., Comment: 7 pages, 3 figures, submitted to Physical Review B

The combined effect of bulk and interface electron-phonon couplings on the transport properties is investigated in a model for organic semiconductors gated with polarizable dielectrics. While the bulk electron-phonon interaction affects the behavior of mobility in the coherent regime below room temperature, the interface coupling is dominant for the activated high $T$ contribution of localized polarons. In order to improve the description of the transport properties, the presence of disorder is needed in addition to electron-phonon couplings. The effects of a weak disorder largely enhance the activation energies of mobility and induce the small polaron formation at lower values of electron-phonon couplings in the experimentally relevant window $150 K

Spectral and transport properties of the quasi two-dimensional adiabatic Su-Schrieffer-Heeger model are studied adjusting the parameters in order to model rubrene single-crystal field effect transistors with small but finite density of injected charge carriers. We show that, with increasing temperature $T$, the chemical potential moves into the tail of the density of states corresponding to localized states, but this is not enough to drive the system into an insulating state. The mobility along different crystallographic directions is calculated including vertex corrections which give rise to a transport lifetime one order of magnitude smaller than spectral lifetime of the states involved in the transport mechanism. With increasing temperature, the transport properties reach the Ioffe-Regel limit which is ascribed to less and less appreciable contribution of itinerant states to the conduction process. The model provides features of the mobility in close agreement with experiments: right order of magnitude, scaling as a power law $T^{-\gamma}$, with $\gamma$ close or larger than two, and correct anisotropy ratio between different in-plane directions. Due to a realistic high dimensional model, the results are not biased by uncontrolled approximations., Comment: 10 pages, 9 figures, Submitted

Electron coupling to intra- and inter-molecular vibrational modes is investigated in models appropriate to single crystal organic semiconductors, such as oligoacenes. Focus is on spectral and transport properties of these systems beyond perturbative approaches. The interplay between different couplings strongly affects the temperature band renormalization that is the result of a subtle equilibrium between opposite tendencies: band narrowing due to interaction with local modes, band widening due to electron coupling to non local modes. The model provides an accurate description of the mobility as function of temperature: indeed, it has the correct order of magnitude, at low temperatures, it scales as a power-law $T^{-\delta}$ with the exponent $\delta$ larger than unity, and, at high temperatures, shows an hopping behavior with a small activation energy., Comment: 3 Figures, Submitted

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., Comment: 9 pages, 7 figures, submitted to Phys. Rev. B

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., Comment: 11 pages, 7 figures, submitted to Phys. Rev. B

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., Comment: 19 pages, 16 figures, submitted to Physical Review B

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., Comment: 4 figures, to be published in Phys. Rev. B

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$_{3-\delta}$ 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., Comment: 6 pages, 5 figures

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 $\vec{q}_s=\{(\pm \pi / 2, 0), (0, \pm \pi / 2) \}$ 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., Comment: 4 pages, 3 figures

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., Comment: accepted for publication as a Rapid Communication in Physical Review B

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.

Dynamical mean field theory combined with finite-temperature exact diagonalization is shown to be a suitable method to study local Coulomb correlations in realistic multi-band materials. By making use of the sparseness of the impurity Hamiltonian, exact eigenstates can be evaluated for significantly larger clusters than in schemes based on full diagonalization. Since finite-size effects are greatly reduced this approach allows the study of three-band systems down to very low temperatures, for strong local Coulomb interactions and full Hund exchange. It is also shown that exact diagonalization yields smooth subband quasi-particle spectra and self-energies at real frequencies. As a first application the correlation induced charge transfer between t2g bands in Na_0.3CoO_2 is investigated. For both Hund and Ising exchange the small eg' Fermi surface hole pockets are found to be slightly enlarged compared to the non-interacting limit, in agreement with previous Quantum Monte Carlo dynamical mean field calculations for Ising exchange, but in conflict with photoemission data., Comment: 9 pages, 7 figures

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.

The optical absorption of the Fr\"{o}hlich 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 ($\alpha >10$); ii) a Memory Function Formalism with phonon broadened levels reproduces the optical response for weak coupling strengths ($\alpha <6$) taking the dynamic lattice relaxation into account. In the coupling regime $6<\alpha<10$ the optical conductivity is a rapidly changing superposition of both Franck-Condon and dynamic contributions., Comment: accepted for publication in PRL

The ultrafast non-thermal control of magnetization has recently become feasible in canted antiferromagnets through photomagnetic instantaneous pulses [A.V. Kimel {\it et al.}, Nature {\bf 435}, 655 (2005)]. In this experiment circularly polarized femtosecond laser pulses set up a strong magnetic field along the wave vector of the radiation through the inverse Faraday effect, thereby exciting non-thermally the spin dynamics of dysprosium orthoferrites. A theoretical study is performed by using a model for orthoferrites based on a general form of free energy whose parameters are extracted from experimental measurements. The magnetization dynamics is described by solving coupled sublattice Landau-Lifshitz-Gilbert equations whose damping term is associated with the scattering rate due to magnon-magnon interaction. Due to the inverse Faraday effect and the non-thermal excitation, the effect of the laser is simulated by magnetic field Gaussian pulses with temporal width of the order of hundred femtoseconds. When the field is along the z-axis, a single resonance mode of the magnetization is excited. The amplitude of the magnetization and out-of-phase behavior of the oscillations for fields in z and -z directions are in good agreement with the cited experiment. The analysis of the effect of the temperature shows that magnon-magnon scattering mechanism affects the decay of the oscillations on the picosecond scale. Finally, when the field pulse is along the x-axis, another mode is excited, as observed in experiments. In this case the comparison between theoretical and experimental results shows some discrepancies whose origin is related to the role played by anisotropies in orthoferrites., Comment: 10 pages, 6 figures

We discuss the combined effect of Rashba and Dresselhaus spin-orbit interactions in polygonal loops formed by quantum wires, when the electron are injected in a node and collected at the opposite one. The conditions that allow perfect localization are found. Furthermore, we investigate the suppression of the Al'tshuler--Aronov--Spivak oscillations that appear, in presence of a magnetic flux, when the electrons are injected and collected at the same node. Finally, we point out that a recent realization of a ballistic spin interferometer can be used to obtain a reliable estimate of the magnitude ratio of the two spin-orbit interactions.\bigskip, Comment: 6 figures

The role of the electron-phonon interaction in the Holstein-Hubbard model is investigated in the metallic phase close to the Mott transition and in the insulating Mott phase. The model is studied by means of a variational slave boson technique. At half-filling, mean-field static quantities are in good agreement with the results obtained by numerical techniques. By taking into account gaussian fluctuations, an analytic expression of the spectral density is derived in the Mott insulating phase showing that an increase of the electron-phonon coupling leads to a sensitive reduction of the Mott gap through a reduced effective repulsion. The relation of the results with recent experimental observations in strongly correlated systems is discussed., Comment: 4 pages, 4 figures

The formation of spherical polaron clusters is studied within the Fr$\ddot{o}$hlich polaron theory. In a dilute polaron gas, using the non-local statistical approach and the polaron pair interaction obtained within the Pekar strong coupling theory, the homogeneous phase results to be unstable toward the appearance of polaron clusters. The physical conditions of formation for the clusters are determined calculating the critical values of electron-phonon interaction for which bound states in the collective polaron potential develop. Finally the sequence in the filling of the states is found and the stability of the clusters is assessed., Comment: 10 pages, 2 tables, 4 figures

The polaron features due to electron-phonon interactions with different coupling ranges are investigated by adopting a variational approach. The ground-state energy, the spectral weight, the average kinetic energy, the mean number of phonons, and the electron-lattice correlation function are discussed for the system with coupling to local and nearest neighbor lattice displacements comparing the results with the long range case. For large values of the coupling with nearest neighbor sites, most physical quantities show a strong resemblance with those obtained for the long range electron-phonon interaction. Moreover, for intermediate values of interaction strength, the correlation function between electron and nearest neighbor lattice displacements is characterized by an upturn as function of the electron-phonon coupling constant., Comment: 5 pages and 4 figures

The resistivity of thin $La_{0.7}A_{0.3}MnO_{3}$ films ($A=Ca, Sr$) is investigated in a wide temperature range. The comparison of the resistivities is made among films grown by different techniques and on several substrates allowing to analyze samples with different amounts of disorder. In the low-temperature nearly half-metallic ferromagnetic state the prominent contribution to the resistivity scales as $T^{\alpha}$ with $\alpha \simeq 2.5$ for intermediate strengths of disorder supporting the theoretical proposal of single magnon scattering in presence of minority spin states localized by the disorder. For large values of disorder the low-temperature behavior of the resistivity is well described by the law $T^{3}$ characteristic of anomalous single magnon scattering processes, while in the regime of low disorder the $\alpha$ exponent tends to a value near 2. In the high temperature insulating paramagnetic phase the resistivity shows the activated behavior characteristic of polaronic carriers. Finally in the whole range of temperatures the experimental data are found to be consistent with a phase separation scenario also in films doped with strontium ($A=Sr$)., Comment: 5 figures

An optimized phonon approach for the numerical diagonalization of interacting electron-phonon systems is proposed. The variational method is based on an expansion in coherent states that leads to a dramatic truncation in the phonon space. The reliability of the approach is demonstrated for the extended Holstein model showing that different types of lattice distortions are present at intermediate electron-phonon couplings as observed in strongly correlated systems. The connection with the density matrix renormalization group is discussed., Comment: 4 figures; submitted to Phys. Rev. B

We demonstrate how the Rashba spin-orbit coupling in semiconductor heterostructures can produce and control a spin-polarized current without ferromagnetic leads. Key idea is to use spin-double refraction of an electronic beam with a nonzero incidence angle. A region where the spin-orbit coupling is present separates the source and the drain without spin-orbit coupling. We show how the transmission and the beam spin-polarization critically depend on the incidence angle. The transmission halves when the incidence angle is greater than a limit angle and a significant spin-polarization appears. Increasing the spin-orbit coupling one can obtain the modulation of the intensity and of the spin-polarization of the output electronic current when the input current is unpolarized. Our analysis shows the possibility to realize a spin-field-effect transistor based on the propagation of only one mode with the region with spin-orbit coupling. Where the original Datta and Das device [Appl.Phys.Lett. {\bf 56}, 665 (1990)] use the spin-precession that originates from the interference between two modes with orthogonal spin., Comment: 12 pages with 7 figures

The polaron features for long-range electron-phonon interaction are investigated by extending a variational approach previously proposed for the study of systems with local coupling. The ground-state spectral weight, the average kinetic energy, the mean number of phonons, and the electron-lattice correlation function are discussed for a wide range of model parameters focusing on the adiabatic regime and comparing the results with the short-range case (Holstein model). A strong mixing of electronic and phononic degrees of freedom for small values of the electron-phonon coupling constant is found in the adiabatic case due to the long-range interaction. Finally a polaron "phase diagram" is proposed., Comment: 4 figs., to appear in J. Phys.:Condens. Matter

We introduce a variational wave-function to study the polaron formation when the electronic transfer integral depends on the relative displacement between nearest-neighbor sites giving rise to a non-local electron-phonon coupling with optical phonon modes. We analyze the ground state properties such as the energy, the electron-lattice correlation function, the phonon number and the spectral weight. Variational results are found in good agreement with analytic weak-coupling perturbative calculations and exact numerical diagonalization of small clusters. We determine the polaronic phase diagram and we find that the tendency towards strong localization is hindered from the pathological sign change of the effective next-nearest-neighbor hopping., Comment: 11 pages