Simulating a catalyst induced quantum dynamical phase transition of a Heyrovsky reaction with different models for the environment.

Through an appropriate election of the molecular orbital basis, we show analytically that the molecular dissociation occurring in a Heyrovsky reaction can be interpreted as a quantum dynamical phase transition, i.e., an analytical discontinuity in the molecular energy spectrum induced by the catalyst. The metallic substrate plays the role of an environment that produces an energy uncertainty on the adatom. This broadening induces a critical behavior not possible in a quantum closed system. We use suitable approximations on symmetry, together with both Lanczos and canonical transformations, to give analytical estimates for the critical parameters of molecular dissociation. This occurs when the bonding to the surface is2times the molecular bonding. This value is slightly weakened for less symmetric situations. However simple, this conclusion involves a high order perturbative solution of the molecule-catalyst system. This model is further simplified to discuss how an environment-induced critical phenomenon can be evaluated through an idealized perturbative tunneling microscopy set-up. In this case, the energy uncertainties in one or both atoms are either Lorentzian or Gaussian. The former results from the Fermi golden rule, i.e., a Markovian approximation. The Gaussian uncertainty, associated with non-Markovian decoherent processes, requires the introduction of a particular model of a spin bath. The partially coherent tunneling current is obtained from the generalized Landauer-Büttiker equations. The resonances observed in these transport parameters reflect, in many cases, the critical properties of the resonances in the molecular spectrum.

Current-induced forces in single-resonance systems.

In recent years, there has been an increasing interest in nanoelectromechanical devices, current-driven quantum machines, and the mechanical effects of electric currents on nanoscale conductors. Here, we carry out a thorough study of the current-induced forces and the electronic friction of systems whose electronic effective Hamiltonian can be described by an archetypal model, a single energy level coupled to two reservoirs. Our results can help better understand the general conditions that maximize the performance of different devices modeled as a quantum dot coupled to two electronic reservoirs. Additionally, they can be useful to rationalize the role of current-induced forces in the mechanical deformation of one-dimensional conductors.

Evolution of multiple quantum coherences with scaled dipolar Hamiltonian.

In this article, we introduce a pulse sequence which allows the monitoring of multiple quantum coherences distribution of correlated spin states developed with scaled dipolar Hamiltonian. The pulse sequence is a modification of our previous Proportionally Refocused Loschmidt echo (PRL echo) with phase increment, in order to verify the accuracy of the weighted coherent quantum dynamics. The experiments were carried out with different scaling factors to analyze the evolution of the total magnetization, the time dependence of the multiple quantum coherence orders, and the development of correlated spins clusters. In all cases, a strong dependence between the evolution rate and the weighting factor is observed. Remarkably, all the curves appeared overlapped in a single trend when plotted against the self-time, a new time scale that includes the scaling factor into the evolution time. In other words, the spin system displayed always the same quantum evolution, slowed down as the scaling factor decreases, confirming the high performance of the new pulse sequence.

Loschmidt echo in many-spin systems: contrasting time scales of local and global measurements.

A local excitation in a quantum many-spin system evolves deterministically. A time-reversal procedure, involving the inversion of the signs of every energy and interaction, should produce the excitation revival. This idea, experimentally coined in nuclear magnetic resonance, embodies the concept of the Loschmidt echo (LE). While such an implementation involves a single spin autocorrelation M(1,1), i.e. a local LE, theoretical efforts have focused on the study of the recovery probability of a complete many-body state, referred to here as global or many-body LE MMB Here, we analyse the relation between these magnitudes, with regard to their characteristic time scales and their dependence on the number of spins N We show that the global LE can be understood, to some extent, as the simultaneous occurrence of N independent local LEs, i.e. MMB∼(M(1,1))(N/4) This extensive hypothesis is exact for very short times and confirmed numerically beyond such a regime. Furthermore, we discuss a general picture of the decay of M1,1 as a consequence of the interplay between the time scale that characterizes the reversible interactions (T(2)) and that of the perturbation (τ(Σ)). Our analysis suggests that the short-time decay, characterized by the time scale τ(Σ), is greatly enhanced by the complex processes that occur beyond T(2) This would ultimately lead to the experimentally observed T(3), which was found to be roughly independent of τ(Σ) but closely tied to T(2).

Loschmidt echo and time reversal in complex systems.

Echoes are ubiquitous phenomena in several branches of physics, ranging from acoustics, optics, condensed matter and cold atoms to geophysics. They are at the base of a number of very useful experimental techniques, such as nuclear magnetic resonance, photon echo and time-reversal mirrors. Particularly interesting physical effects are obtained when the echo studies are performed on complex systems, either classically chaotic, disordered or many-body. Consequently, the term Loschmidt echo has been coined to designate and quantify the revival occurring when an imperfect time-reversal procedure is applied to a complex quantum system, or equivalently to characterize the stability of quantum evolution in the presence of perturbations. Here, we present the articles which discuss the work that has shaped the field in the past few years.

Experimental quantification of decoherence via the Loschmidt echo in a many spin system with scaled dipolar Hamiltonians.

We performed Loschmidt echo nuclear magnetic resonance experiments to study decoherence under a scaled dipolar Hamiltonian by means of a symmetrical time-reversal pulse sequence denominated Proportionally Refocused Loschmidt (PRL) echo. The many-spin system represented by the protons in polycrystalline adamantane evolves through two steps of evolution characterized by the secular part of the dipolar Hamiltonian, scaled down with a factor |k| and opposite signs. The scaling factor can be varied continuously from 0 to 1/2, giving access to a range of complexity in the dynamics. The experimental results for the Loschmidt echoes showed a spreading of the decay rates that correlate directly to the scaling factors |k|, giving evidence that the decoherence is partially governed by the coherent dynamics. The average Hamiltonian theory was applied to give an insight into the spin dynamics during the pulse sequence. The calculations were performed for every single radio frequency block in contrast to the most widely used form. The first order of the average Hamiltonian numerically computed for an 8-spin system showed decay rates that progressively decrease as the secular dipolar Hamiltonian becomes weaker. Notably, the first order Hamiltonian term neglected by conventional calculations yielded an explanation for the ordering of the experimental decoherence rates. However, there is a strong overall decoherence observed in the experiments which is not reflected by the theoretical results. The fact that the non-inverted terms do not account for this effect is a challenging topic. A number of experiments to further explore the relation of the complete Hamiltonian with this dominant decoherence rate are proposed.

Plasmonic graded-chains as deep-subwavelength light concentrators.

We have studied the plasmonic properties of aperiodic arrays of identical nanoparticles (NPs) formed by two opposite and equal graded-chains (a chain where interactions change gradually). We found that these arrays concentrate the external electromagnetic fields even in the long wavelength limit. The phenomenon was understood by identifying the system with an effective cavity where plasmonics excitations are trapped between effective band edges, resulting from the change of passband with the NP's position. Dependence of excitation concentration on several system parameters was also assessed. This includes different gradings as well as NP couplings, damping, and resonant frequencies. In the spirit of the scaling laws in condensed matter physics, we developed a theory that allows us to rationalize all these system parameters into universal curves. The theory is quite general and can also be used in many other situations (different arrays for example). Additionally, we also provided an analytical solution, in the tight-binding limit, for the plasmonic response of homogeneous linear chains of NPs illuminated by a plane wave. Our results can find applications in sensing, near field imaging, plasmon-enhanced photodetectors, as well as to increase solar cell efficiency.

Generalized multi-terminal decoherent transport: recursive algorithms and applications to SASER and giant magnetoresistance.

Decoherent transport in mesoscopic and nanoscopic systems can be formulated in terms of the D'Amato-Pastawski (DP) model. This generalizes the Landauer-Büttiker picture by considering a distribution of local decoherent processes. However, its generalization for multi-terminal set-ups is lacking. We first review the original two-terminal DP model for decoherent transport. Then, we extend it to a matrix formulation capable of dealing with multi-terminal problems. We also introduce recursive algorithms to evaluate the Green's functions for general banded Hamiltonians as well as local density of states, effective conductances and voltage profiles. We finally illustrate the method by analyzing two problems of current relevance. (1) Assessing the role of decoherence in a model for phonon lasers (SASER). (2) Obtaining the classical limit of giant magnetoresistance from a spin-dependent Hamiltonian. The presented methods should pave the way for computationally demanding calculations of transport through nanodevices, bridging the gap between fully coherent quantum schemes and semiclassical ones.

Time fluctuations in isolated quantum systems of interacting particles.

Numerically, we study the time fluctuations of few-body observables after relaxation in isolated dynamical quantum systems of interacting particles. Our results suggest that they decay exponentially with system size in both regimes, integrable and chaotic. The integrable systems considered are solvable with the Bethe ansatz and have a highly nondegenerate spectrum. This is in contrast with integrable Hamiltonians mappable to noninteracting ones. We show that the coefficient of the exponential decay depends on the level of delocalization of the initial state with respect to the energy shell.

Non-perturbative effects of laser illumination on the electrical properties of graphene nanoribbons.

Floquet theory combined with a realistic description of the electronic structure of illuminated graphene and graphene nanoribbons is developed to assess the emergent non-adiabatic and non-perturbative effects on the electronic properties. Here we introduce an efficient computational scheme and illustrate its use by applying it to graphene nanoribbons in the presence of both linear and circular polarization. The interplay between confinement due to the finite sample size and laser-induced transitions is shown to lead to sharp features in the average conductance and density of states. Particular emphasis is given to the emergence of the bulk limit response.

Storage of quantum coherences as phase-labelled local polarization in solid-state nuclear magnetic resonance.

Nuclear spins are promising candidates for quantum information processing because their good isolation from the environment precludes the rapid loss of quantum coherence. Many strategies have been developed to further extend their decoherence times. Some of them make use of decoupling techniques based on the Carr-Purcell and Carr-Purcell-Meiboom-Gill pulse sequences. In many cases, when applied to inhomogeneous samples, they yield a magnetization decay much slower than that of the Hahn echo. However, we have proved that these decays cannot be associated with longer decoherence times, as coherences remain frozen. They result from coherences recovered after their storage as local polarization and thus they can be used as memories. We show here how this freezing of the coherent state, which can subsequently be recovered after times longer than the natural decoherence time of the system, can be generated in a controlled way with the use of field gradients. A similar behaviour of homogeneous samples in inhomogeneous fields is demonstrated. It is emphasized that the effects of inhomogeneities in solid-state nuclear magnetic resonance, independently of their origin, should not be disregarded, as they play a crucial role in multipulse sequences.

Semiclassical theory of time-reversal focusing.

Time-reversal mirrors have been successfully implemented for various kinds of waves propagating in complex media. In particular, acoustic waves in chaotic cavities exhibit a refocalization that is extremely robust against external perturbations or the partial use of the available information. We develop a semiclassical approach in order to quantitatively describe the refocusing signal resulting from an initially localized wave packet. The time-dependent reconstructed signal grows linearly with the temporal window of injection, in agreement with the acoustic experiments, and reaches the same spatial extension of the original wave packet. We explain the crucial role played by the chaotic dynamics for the reconstruction of the signal and its stability against external perturbations.

Quantum parallelism as a tool for ensemble spin dynamics calculations.

Efficient simulations of quantum evolutions of spin-1/2 systems are relevant for ensemble quantum computation as well as in typical NMR experiments. We propose an efficient method to calculate the dynamics of an observable provided that the initial excitation is "local." It resorts to a single entangled pure initial state built as a superposition, with random phases, of the pure elements that compose the mixture. This ensures self-averaging of any observable, drastically reducing the calculation time. The procedure is tested for two representative systems: a spin star (cluster with random long range interactions) and a spin ladder.

Environmentally induced quantum dynamical phase transition in the spin swapping operation.

Quantum information processing relies on coherent quantum dynamics for a precise control of its basic operations. A swapping gate in a two-spin system exchanges the degenerate states |(up arrow, down arrow)> and |(down arrow, up arrow)>. In NMR, this is achieved turning on and off the spin-spin interaction b=DeltaE that splits the energy levels and induces an oscillation with a natural frequency DeltaE/Planck's. Interaction of strength Planck's/tau(SE), with an environment of neighboring spins, degrades this oscillation within a decoherence time scale tau(phi). While the experimental frequency omega and decoherence time tau(phi) were expected to be roughly proportional to b/Planck's and tau(SE), respectively, we present here experiments that show drastic deviations in both omega and tau(phi). By solving the many spin dynamics, we prove that the swapping regime is restricted to DeltaEtau(SE) similar or greater than Planck's. Beyond a critical interaction with the environment the swapping freezes and the decoherence rate drops as 1/tau(phi) proportional to (b/Planck's)2tau(SE). The transition between quantum dynamical phases occurs when omega proportional to sqrt (b/Planck's)2-(k/tau(SE)2 becomes imaginary, resembling an overdamped classical oscillator. Here, 0< or =k2< or =1 depends only on the anisotropy of the system-environment interaction, being 0 for isotropic and 1 for XY interactions. This critical onset of a phase dominated by the quantum Zeno effect opens up new opportunities for controlling quantum dynamics.

NMR polarization echoes in a nematic liquid crystal.

We have modified the polarization echo (PE) sequence through the incorporation of Lee-Goldburg cross polarization steps to quench the 1H-1H dipolar dynamics. In this way, the 13C becomes an ideal local probe to inject and detect polarization in the proton system. This improvement made possible the observation of the local polarization P(00)(t) and polarization echoes in the interphenyl proton of the liquid crystal N-(4-methoxybenzylidene)-4-butylaniline. The decay of P(00)(t) was well fitted to an exponential law with a characteristic time tau(C) approximately 310 micros. The hierarchy of the intramolecular dipolar couplings determines a dynamical bottleneck that justifies the use of the Fermi Golden Rule to obtain a spectral density consistent with the structural parameters. The time evolution of P(00)(t) was reversed by the PE sequence generating echoes at the time expected by the scaling of the dipolar Hamiltonian. This indicates that the reversible 1H-1H dipolar interaction is the main contribution to the local polarization decrease and that the exponential decay for P(00)(t) does not imply irreversibility. The attenuation of the echoes follows a Gaussian law with a characteristic time tau(phi) approximately 527 micros. The shape and magnitude of the characteristic time of the PE decay suggest that it is dominated by the unperturbed homonuclear dipolar Hamiltonian. This means that tau(phi) is an intrinsic property of the dipolar coupled network and not of other degrees of freedom. In this case, one cannot unambiguously identify the mechanism that produces the decoherence of the dipolar order. This is because even weak interactions are able to break the fragile multiple coherences originated on the dipolar evolution, hindering its reversal. Other schemes to investigate these underlying mechanisms are proposed.

Sensitivity to perturbations in a quantum chaotic billiard.

The Loschmidt echo (LE) measures the ability of a system to return to the initial state after a forward quantum evolution followed by a backward perturbed one. It has been conjectured that the echo of a classically chaotic system decays exponentially, with a decay rate given by the minimum between the width Gamma of the local density of states and the Lyapunov exponent. As the perturbation strength is increased one obtains a crossover between both regimes. These predictions are based on situations where the Fermi golden rule (FGR) is valid. By considering a paradigmatic fully chaotic system, the Bunimovich stadium billiard, with a perturbation in a regime for which the FGR manifestly does not work, we find a crossover from Gamma to Lyapunov decay. We find that, challenging the analytic interpretation, these conjectures are valid even beyond the expected range.