Quantum reflection of rare gas atoms and molecules from a grating

Quantum reflection is a universal property of atoms and molecules when scattered from surfaces in ultracold collisions. Recent experimental work has documented the quantum reflection and diffraction of He atoms, dimers, trimers and Neon atoms when reflected from a grating. Conditions for the observation of emerging beam resonances have been discussed and measured. In this paper, we provide a theoretical simulation of the quantum reflection in these cases from a grating. We confirm, as expected the universal dependence on the incident de Broglie wavelength only of the threshold angles for the observation of emerging beam resonances. However, the angular dependence of the reflection efficiencies, that is the ratio of scattered intensity into specific diffraction channels relative to the total intensity is found to be dependent on the specifics of the incident particle. The dependence of the reflection efficiency on the identity of the particle is intimately related to the fact that the incident energy dependence of quantum reflection depends on the details of the particle surface interaction.Comment: 18 pages, 5 figures, 2 table

Theoretical study of "trapping sites" in cryogenic rare gas solids doped with β-dicarbonyl molecules

International audienceA deposition model to simulate the growth of doped rare gas crystals is used. The study involves organic molecules with a single intramolecular hydrogen bond such as malonaldehyde, 2chloromalonaldehyde and acetylacetone as impurities. Different trapping sites were obtained depending on the rare gas properties for a given impurity, and depending on the molecular size and shape for a given crystal. Simulations were carried out by using classical molecular dynamics methods including an anharmonic thermal correction, to take into account the zero point movement of the crystal. The results are correlated to spectroscopic data previously achieved for these systems by steady state IR spectroscopy

Effects of trapping site on the spectroscopy of 1P1 excited group 12 metal atoms in rare gas matrices

A molecular dynamics deposition model has been used to simulate the growth of rare gas matrices doped with atoms of the group 12 elements zinc, cadmium and mercury. This study investigates the sites occupied by Zn, Cd and Hg metal atoms when isolated in the solid rare gases. To probe the results, the resonance 1 P 1-1 S 0 transitions of the matrix-isolated metal atoms were calculated and compared with the recorded spectra of the M/RG solids. The theoretical spectroscopy obtained in this work was generated using the molecular dynamics with quantum transitions method. In Ne matrices the metal atoms preferably occupy tetra- and hexa-vacancy sites while in the case of Xe matrices, only the single vacancy site is formed. For Ar and Kr matrices Zn but especially Cd can be trapped in tetra- and hexa-vacancy sites in addition to single-vacancy sites, while Hg atoms show exclusive occupancy in single vacancy sites.Fil: Lara Moreno, M.. Universidad de La Habana; Cuba. Instituto Superior de Tecnologías y Ciencias Aplicadas.; Cuba. Université de Bordeaux; Francia. Centre National de la Recherche Scientifique; FranciaFil: Alvarez Hernández, J.. Universidad de La Habana; Cuba. Instituto Superior de Tecnologías y Ciencias Aplicadas.; Cuba. University of Rochester. Department of Chemistry; Estados UnidosFil: Negrín Yuvero, Lázaro Hassiel. Universidad de La Habana; Cuba. Instituto Superior de Tecnologías y Ciencias Aplicadas.; Cuba. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: McCaffrey, J. G.. National University of Ireland. Maynooth University. Department of Chemistry; IrlandaFil: Rojas Lorenzo, G.. Universidad de La Habana; Cuba. Instituto Superior de Tecnologías y Ciencias Aplicadas.; Cub

A Langevin Canonical Approach to the Study of Quantum Stochastic Resonance in Chiral Molecules

A Langevin canonical framework for a chiral two-level system coupled to a bath of harmonic oscillators is used within a coupling scheme different from the well-known spin-boson model to study the quantum stochastic resonance for chiral molecules. This process refers to the amplification of the response to an external periodic signal at a certain value of the noise strength, being a cooperative effect of friction, noise, and periodic driving occurring in a bistable system. Furthermore, from this stochastic dynamics within the Markovian regime and Ohmic friction, the competing process between tunneling and the parity violating energy difference present in this type of chiral systems plays a fundamental role. This mechanism is finally proposed to observe the so-far elusive parity-violating energy difference in chiral molecules.Helen Clara Peñate-Rodríguez and Germán Rojas-Lorenzo acknowledge a scientific project from InSTEC. Pedro Bargueño acknowledge the support from the Faculty of Science and Vicerrectoría de Investigaciones of Universidad de Los Andes, Bogotá, Colombia. Salvador Miret-Artés acknowledges a grant with Ref. FIS2014-52172-C2-1-P from the Ministerio de Economía y Competitividad (Spain). We acknowledge support by the CSIC Open Access Publication Initiative through its Unit of Information Resources for Research (URICI)

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.Comment: 40 pages, 4 figure

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.Comment: 17 pages, 1 figur