Renormalization of Molecular Quasiparticle Levels at Metal-Molecule Interfaces: Trends Across Binding Regimes

When an electron or a hole is added into an orbital of an adsorbed molecule the substrate electrons will rearrange in order to screen the added charge. This results in a reduction of the electron addition/removal energies as compared to the free molecule case. In this work we use a simple model to illustrate the universal trends of this renormalization mechanism as a function of the microscopic key parameters. Insight of both fundamental and practical importance is obtained by comparing GW quasiparticle energies with Hartree-Fock and Kohn-Sham calculations. We identify two different polarization mechanisms: (i) polarization of the metal (image charge formation) and (ii) polarization of the molecule via charge transfer across the interface. The importance of (i) and (ii) is found to increase with the metal density of states at the Fermi level and metal-molecule coupling strength, respectively.Comment: 4 pages, 3 figure

Nonclassical polarization dynamics in classical-like states

Quantum polarization is investigated by means of a trajectory picture based on the Bohmian formulation of quantum mechanics. Relevant examples of classical-like two-mode field states are thus examined, namely Glauber and SU(2) coherent states. Although these states are often regarded as classical, the analysis here shows that the corresponding electric-field polarization trajectories display topologies very different from those expected from classical electrodynamics. Rather than incompatibility with the usual classical model, this result demonstrates the dynamical richness of quantum motions, determined by local variations of the system quantum phase in the corresponding (polarization) configuration space, absent in classical-like models. These variations can be related to the evolution in time of the phase, but also to its dependence on configurational coordinates, which is the crucial factor to generate motion in the case of stationary states like those here considered. In this regard, for completeness these results are compared those obtained from nonclassical N00N states.Comment: 8 pages, 3 figure

Evaluation of the causes of error in the MCD45 burned-area product for the savannas of northern South America [Evaluación de las causas de error en el producto de área quemada MCD45 para las sabanas del norte de Suramérica]

Forest fires contribute to deforestation and have been considered a significant source of CO2 emissions. There are global maps that estimate the area affected by a fire using the reflectance variation of the surface. In this study, we evaluated the reliability and the causes of error of the MCD45 Burned Area Product, by applying the confusion matrix method to the Orinoco River Basin. This basin is located in the northern zone of South America, and consists mainly of savanna ecosystems. For the evaluation, we used as reference data five pairs of Landsat images, covering 165,000 km2. The Burned Area Product estimated a burned area of 7,576.43 km2, which is lower than the area of 12,100.16 km2 found with Landsat images, leading to an overall underestimation. The causes of error are associated to the spatial resolution of the map, and to some structures of the algorithm that generates the map

Non-equilibrium GW approach to quantum transport in nano-scale contacts

Correlation effects within the GW approximation have been incorporated into the Keldysh non-equilibrium transport formalism. We show that GW describes the Kondo effect and the zero-temperature transport properties of the Anderson model fairly well. Combining the GW scheme with density functional theory and a Wannier function basis set, we illustrate the impact of correlations by computing the I-V characteristics of a hydrogen molecule between two Pt chains. Our results indicate that self-consistency is fundamental for the calculated currents, but that it tends to wash out satellite structures in the spectral function.Comment: 5 pages, 4 figure

Anomalous scaling in a non local growth model in the Kardar-Parisi-Zhang universality class

We study the interface dynamics of a discrete model to quantitatively describe electrochemical deposition experiments. Extensive numerical simulations indicate that the interface dynamics is unstable at early times, but asymptotically displays the scaling of the Kardar-Parisi-Zhang universality class. During the time interval in which the surface is unstable, its power spectrum is anomalous; hence the behaviors at length scales smaller than or comparable with the system size are described by different roughness exponents. These results are expected to apply to a wide range of electrochemical deposition experiments.Comment: REVTEX (4 pages) and three figures (postscript), to be published in PRE (rapid communication, March, 1998

A Mechanism for Cutting Carbon Nanotubes with a Scanning Tunneling Microscope

We discuss the local cutting of single-walled carbon nanotubes by a voltage pulse to the tip of a scanning tunneling microscope. The tip voltage ($\mid V \mid \ge$~3.8 eV) is the key physical quantity in the cutting process. After reviewing several possible physical mechanisms we conclude that the cutting process relies on the weakening of the carbon-carbon bonds through a combination of localized particle-hole excitations induced by inelastically tunneling electrons and elastic deformation due to the electric field between tip and sample. The carbon network releases part of the induced mechanical stress by forming topological defects that act as nucleation centers for the formation of dislocations that dynamically propagate towards bond-breaking.Comment: 7 pages, 6 postscript figures, submitted to PR

Applications of combined MOSFET-IGBT power leg with reduced switching losses

This paper discusses power legs built upon the combination of a MOSFET and an IGBT. The suggested combined use of those different switches is intended to be applied in PWM controlled single and three phase inverters. The main advantage of the presented topology is the reduced switching losses in the overall inverter topology compared to the classical pure IGBT and MOSFET topologies. The paper presents and compares experimental results for the proposed power leg and the conventional pure IGBTs and pure MOSFETs legs. Realized applications of the proposed power leg are shown

Autonomous and controlled motivational regulations for multiple health related behaviors: between- and within-participants analyses

Self-determination theory has been applied to the prediction of a number of health-related behaviors with self-determined or autonomous forms of motivation generally more effective in predicting health behavior than non-self-determined or controlled forms. Research has been confined to examining the motivational predictors in single health behaviors rather than comparing effects across multiple behaviors. The present study addressed this gap in the literature by testing the relative contribution of autonomous and controlling motivation to the prediction of a large number of health-related behaviors, and examining individual differences in self-determined motivation as a moderator of the effects of autonomous and controlling motivation on health behavior. Participants were undergraduate students (N = 140) who completed measures of autonomous and controlled motivational regulations and behavioral intention for 20 health-related behaviors at an initial occasion with follow-up behavioral measures taken four weeks later. Path analysis was used to test a process model for each behavior in which motivational regulations predicted behavior mediated by intentions. Some minor idiosyncratic findings aside, between-participants analyses revealed significant effects for autonomous motivational regulations on intentions and behavior across the 20 behaviors. Effects for controlled motivation on intentions and behavior were relatively modest by comparison. Intentions mediated the effect of autonomous motivation on behavior. Within-participants analyses were used to segregate the sample into individuals who based their intentions on autonomous motivation (autonomy-oriented) and controlled motivation (control-oriented). Replicating the between-participants path analyses for the process model in the autonomy- and control-oriented samples did not alter the relative effects of the motivational orientations on intention and behavior. Results provide evidence for consistent effects of autonomous motivation on intentions and behavior across multiple health-related behaviors with little evidence of moderation by individual differences. Findings have implications for the generalizability of proposed effects in self-determination theory and intentions as a mediator of distal motivational factors on health-related behavior