arXiv subjects

R. Martinez-Casado

Publications and source records attributed to R. Martinez-Casado.

13 recordsLinked to original sources

arXiv2014

Dissipative Bohmian mechanics within the Caldirola-Kanai framework: A trajectory analysis of wave-packet dynamics in viscid media

Classical viscid media are quite common in our everyday life. However, we are not used to find such media in quantum mechanics, and much less to analyze their effects on the dynamics of quantum systems. In this regard, the Caldirola-Kanai time-dependent Hamiltonian constitutes an appealing model, accounting for friction without including environmental fluctuations (as it happens, for example, with quantum Brownian motion). Here, a Bohmian analysis of the associated friction dynamics is provided in order to understand how a hypothetical, purely quantum viscid medium would act on a wave packet from a (quantum) hydrodynamic viewpoint. To this purpose, a series of paradigmatic contexts have been chosen, such as the free particle, the motion under the action of a linear potential, the harmonic oscillator, or the superposition of two coherent wave packets. Apart from their analyticity, these examples illustrate interesting emerging behaviors, such as localization by "quantum freezing" or a particular type of quantum-classical correspondence. The reliability of the results analytically determined has been checked by means of numerical simulations, which has served to investigate other problems lacking of such analyticity (e.g., the coherent superpositions).

quant-ph↗

arXiv2013

Adsorbate surface diffusion: The role of incoherent tunneling in light particle motion

The role of incoherent tunneling in the diffusion of light atoms on surfaces is investigated. With this purpose, a Chudley-Elliot master equation constrained to nearest neighbors is considered within the Grabert-Weiss approach to quantum diffusion in periodic lattices. This model is applied to recent measurements of atomic H and D on Pt(111), rendering friction coefficients that are in the range of those available in the literature for other species of adsorbates. A simple extension of the model has also been considered to evaluate the relationship between coverage and tunneling, and therefore the feasibility of the approach. An increase of the tunneling rate has been observed as the surface coverage decreases.

cond-mat.stat-mech↗

arXiv2012

Quantum Zeno and anti-Zeno effects in surface diffusion of interacting adsorbates

Surface diffusion of interacting adsorbates is here analyzed within the context of two fundamental phenomena of quantum dynamics, namely the quantum Zeno effect and the anti-Zeno effect. The physical implications of these effects are introduced here in a rather simple and general manner within the framework of non-selective measurements and for two (surface) temperature regimes: high and very low (including zero temperature). The quantum intermediate scattering function describing the adsorbate diffusion process is then evaluated for flat surfaces, since it is fully analytical in this case. Finally, a generalization to corrugated surfaces is also discussed. In this regard, it is found that, considering a Markovian framework and high surface temperatures, the anti-Zeno effect has already been observed, though not recognized as such.

cond-mat.stat-mech↗

arXiv2010

Phonon lineshapes in atom-surface scattering

Phonon lineshapes in atom-surface scattering are obtained from a simple stochastic model based on the so-called Caldeira-Leggett Hamiltonian. In this single-bath model, the excited phonon resulting from a creation or annihilation event is coupled to a thermal bath consisting of an infinite number of harmonic oscillators, namely the bath phonons. The diagonalization of the corresponding Hamiltonian leads to a renormalization of the phonon frequencies in terms of the phonon friction or damping coefficient. Moreover, when there are adsorbates on the surface, this single-bath model can be extended to a two-bath model accounting for the effect induced by the adsorbates on the phonon lineshapes as well as their corresponding lineshapes.

cond-mat.stat-mech↗

arXiv2010

Linear response theory of activated surface diffusion with interacting adsorbates

Activated surface diffusion with interacting adsorbates is analyzed within the Linear Response Theory framework. The so-called interacting single adsorbate model is justified by means of a two-bath model, where one harmonic bath takes into account the interaction with the surface phonons, while the other one describes the surface coverage, this leading to defining a collisional friction. Here, the corresponding theory is applied to simple systems, such as diffusion on flat surfaces and the frustrated translational motion in a harmonic potential. Classical and quantum closed formulas are obtained. Furthermore, a more realistic problem, such as atomic Na diffusion on the corrugated Cu(001) surface, is presented and discussed within the classical context as well as within the framework of Kramer's theory. Quantum corrections to the classical results are also analyzed and discussed.

cond-mat.stat-mech↗

arXiv2010

Two-bath model for activated surface diffusion of interacting adsorbates

The diffusion and low vibrational motions of adsorbates on surfaces can be well described by a purely stochastic model, the so-called interacting single adsorbate model, for low-moderate coverages (θ\lesssim 0.12). Within this model, the effects of thermal surface phonons and adsorbate-adsorbate collisions are accounted for by two uncorrelated noise functions which arise in a natural way from a two-bath model based on a generalization of the one-bath Caldeira-Leggett Hamiltonian. As an illustration, the model is applied to the diffusion of Na atoms on a Cu(001) surface with different coverages.

cond-mat.stat-mech↗

arXiv2008

Quantum Markovian activated surface diffusion of interacting adsorbates

A quantum Markovian activated atom-surface diffusion model with interacting adsorbates is proposed for the intermediate scattering function, which is shown to be complex-valued and factorizable into a classical-like and a quantum-mechanical factor. Applications to the diffusion of Na atoms on flat (weakly corrugated) and corrugated-Cu(001) surfaces at different coverages and surface temperatures are analyzed. Quantum effects are relevant to diffusion at low surface temperatures and coverages even for relatively heavy particles, such as Na atoms, where transport by tunneling is absent.

cond-mat.stat-mech↗

arXiv2008

Stochastic theory of lineshape broadening in quasielastic He atom scattering with interacting adsorbates

The activated surface diffusion of interacting adsorbates is described in terms of the so-called interacting single adsorbate approximation, which is applied to the diffusion of Na atoms on Cu(001) for coverages up to 20% in quasielastic He atom scattering experiments. This approximation essentially consists of solving the standard Langevin equation with two noise sources and frictions: a Gaussian white noise accounting for the friction with the substrate, and a white shot noise characterized by a collisional friction simulating the adsorbate-adsorbate collisions. The broadenings undergone by the quasielastic peak are found to be in very good agreement with the experimental data reported at two surface temperatures 200 and 300 K.

cond-mat.stat-mech↗

arXiv2007

Quasielastic He atom scattering from surfaces: A stochastic description of the dynamics of interacting adsorbates

The study of diffusion and low frequency vibrational motions of particles on metal surfaces is of paramount importance; it provides valuable information on the nature of the adsorbate-substrate and the substrate-substrate interactions. In particular, the experimental broadening observed in the diffusive peak with increasing coverage is usually interpreted in terms of a dipole-dipole like interaction among adsorbates via extensive molecular dynamics calculations within the Langevin framework. Here we present an alternative way to interpret this broadening by means of a purely stochastic description, namely the interacting single adsorbate approximation, where two noise sources are considered: (1) a Gaussian white noise accounting for the surface friction and temperature, and (2) a white shot noise replacing the interaction potential between adsorbates. Standard Langevin numerical simulations for flat and corrugated surfaces (with a separable potential) illustrate the dynamics of Na atoms on a Cu(100) surface which fit fairly well to the analytical expressions issued from simple models (free particle and anharmonic oscillator) when the Gaussian approximation is assumed. A similar broadening is also expected for the frustrated translational mode peaks.

cond-mat.stat-mech↗

arXiv2007

Surface diffusion and low vibrational motion with interacting adsorbates: A shot noise description

Here, an approach in terms of shot noise is proposed to study and characterize surface diffusion and low vibrational motion when having interacting adsorbates on surfaces. In what we call statistical limit, that is, at long times and high number of collisions, one expects that diffusing particles display an essential Markovian behavior. Accordingly, the action of the pairwise potentials accounting for particle-particle collisions is equivalent to considering a shot noise acting on a single particle. We call this approach the interacting single adsorbate approximation, which gathers three important advantages: (i) the dynamics underlying surface diffusion and low vibrational motion can be easily understood in terms of relatively simple stochastic processes; (ii) from our model, appropriate (and well justified) working formulas are easily obtained, which explain the results arising from more complicated (but commonly used) molecular dynamics simulations within the Langevin formulation; and (iii), at the same time, it is less demanding computationally than the latter type of calculations. In order to illustrate the application of this model, numerical results are presented. Specially, our model reproduces the experimental observation regarding the broadening of the quasielastic peak ruling surface diffusion.

cond-mat.stat-mech↗

arXiv2007

Line Shape Broadening in Surface Diffusion of Interacting Adsorbates with Quasielastic He Atom Scattering

The experimental line shape broadening observed in adsorbate diffusion on metal surfaces with increasing coverage is usually related to the nature of the adsorbate-adsorbate interaction. Here we show that this broadening can also be understood in terms of a fully stochastic model just considering two noise sources: (i) a Gaussian white noise accounting for the surface friction, and (ii) a shot noise replacing the physical adsorbate-adsorbate interaction potential. Furthermore, contrary to what could be expected, for relatively weak adsorbate-substrate interactions the opposite effect is predicted: line shapes get narrower with increasing coverage.

cond-mat.stat-mech↗

arXiv2007

A generalized Chudley-Elliott vibration-jump model in activated atom surface diffusion

Here the authors provide a generalized Chudley-Elliott expression for activated atom surface diffusion which takes into account the coupling between both low-frequency vibrational motion (namely, the frustrated translational modes) and diffusion. This expression is derived within the Gaussian approximation framework for the intermediate scattering function at low coverage. Moreover, inelastic contributions (arising from creation and annihilation processes) to the full width at half maximum of the quasi-elastic peak are also obtained.

cond-mat.stat-mech↗

arXiv2007

Quasi-elastic peak lineshapes in adsorbate diffusion on nearly flat surfaces at low coverages: the motional narrowing effect in Xe on Pt(111)

Quasi-elastic helium atom scattering measurements have provided clear evidence for a two-dimensional free gas of Xe atoms on Pt(111) at low coverages. Increasing the friction due to the surface, a gradual change of the shape of the quasi-elastic peak is predicted and analyzed for this system in terms of the so-called motional narrowing effect. The type of analysis presented here for the quasi-elastic peak should be prior to any deconvolution procedure carried out in order to better extract information from the process, e.g. diffusion coefficients and jump distributions. Moreover, this analysis also provides conditions for the free gas regime different than those reported earlier.

cond-mat.stat-mech↗