Magnetic field dependence of hole levels in self-assembled InAs quantum dots

Recent magneto-transport experiments of holes in InGaAs quantum dots [D. Reuter, P. Kailuweit, A.D. Wieck, U. Zeitler, O. Wibbelhoff, C. Meier, A. Lorke, and J.C. Maan, Phys. Rev. Lett. 94, 026808 (2005)] are interpreted by employing a multi-band kp Hamiltonian, which considers the interaction between heavy hole and light hole subbands explicitely. No need of invoking an incomplete energy shell filling is required within this model. The crucial role we ascribe to the heavy hole-light hole interaction is further supported by one-band local-spin-density functional calculations, which show that Coulomb interactions do not induce any incomplete hole shell filling and therefore cannot account for the experimental magnetic field dispersion.Comment: 5 pages with 3 figures and one table. The paper has been submitted to Phys.Rev.

Electron-hole pairs during the adsorption dynamics of O2 on Pd(100) - Exciting or not?

During the exothermic adsorption of molecules at solid surfaces dissipation of the released energy occurs via the excitation of electronic and phononic degrees of freedom. For metallic substrates the role of the nonadiabatic electronic excitation channel has been controversially discussed, as the absence of a band gap could favour an easy coupling to a manifold of electronhole pairs of arbitrarily low energies. We analyse this situation for the highly exothermic showcase system of molecular oxygen dissociating at Pd(100), using time-dependent perturbation theory applied to first-principles electronic-structure calculations. For a range of different trajectories of impinging O2 molecules we compute largely varying electron-hole pair spectra, which underlines the necessity to consider the high-dimensionality of the surface dynamical process when assessing the total energy loss into this dissipation channel. Despite the high Pd density of states at the Fermi level, the concomitant non-adiabatic energy losses nevertheless never exceed about 5% of the available chemisorption energy. While this supports an electronically adiabatic description of the predominant heat dissipation into the phononic system, we critically discuss the non-adiabatic excitations in the context of the O2 spin transition during the dissociation process.Comment: 20 pages including 7 figures; related publications can be found at http://www.fhi-berlin.mpg.de/th/th.html [added two references, changed V_{fsa} to V_{6D}, modified a few formulations in interpretation of spin asymmetry of eh-spectra, added missing equals sign in Eg.(2.10)

First-principles kinetic Monte Carlo simulations for heterogeneous catalysis, applied to the CO oxidation at RuO2(110)

We describe a first-principles statistical mechanics approach enabling us to simulate the steady-state situation of heterogeneous catalysis. In a first step density-functional theory together with transition-state theory is employed to obtain the energetics of all relevant elementary processes. Subsequently the statistical mechanics problem is solved by the kinetic Monte Carlo method, which fully accounts for the correlations, fluctuations, and spatial distributions of the chemicals at the surface of the catalyst under steady-state conditions. Applying this approach to the catalytic oxidation of CO at RuO2(110), we determine the surface atomic structure and composition in reactive environments ranging from ultra-high vacuum (UHV) to technologically relevant conditions, i.e. up to pressures of several atmospheres and elevated temperatures. We also compute the CO2 formation rates (turnover frequencies). The results are in quantitative agreement with all existing experimental data. We find that the high catalytic activity of this system is intimately connected with a disordered, dynamic surface ``phase'' with significant compositional fluctuations. In this active state the catalytic function results from a self-regulating interplay of several elementary processes.Comment: 18 pages including 9 figures; related publications can be found at http://www.fhi-berlin.mpg.de/th/th.htm

The GLAS physical inversion method for analysis of HIRS2/MSU sounding data

Goddard Laboratory for Atmospheric Sciences has developed a method to derive atmospheric temperature profiles, sea or land surface temperatures, sea ice extent and snow cover, and cloud heights and fractional cloud, from HIRS2/MSU radiance data. Chapter 1 describes the physics used in the radiative transfer calculations and demonstrates the accuracy of the calculations. Chapter 2 describes the rapid transmittance algorithm used and demonstrates its accuracy. Chapter 3 describes the theory and application of the techniques used to analyze the satellite data. Chapter 4 shows results obtained for January 1979

Technology for an intelligent, free-flying robot for crew and equipment retrieval in space

Crew rescue and equipment retrieval is a Space Station Freedom requirement. During Freedom's lifetime, there is a high probability that a number of objects will accidently become separated. Members of the crew, replacement units, and key tools are examples. Retrieval of these objects within a short time is essential. Systems engineering studies were conducted to identify system requirements and candidate approaches. One such approach, based on a voice-supervised, intelligent, free-flying robot was selected for further analysis. A ground-based technology demonstration, now in its second phase, was designed to provide an integrated robotic hardware and software testbed supporting design of a space-borne system. The ground system, known as the EVA Retriever, is examining the problem of autonomously planning and executing a target rendezvous, grapple, and return to base while avoiding stationary and moving obstacles. The current prototype is an anthropomorphic manipulator unit with dexterous arms and hands attached to a robot body and latched in a manned maneuvering unit. A precision air-bearing floor is used to simulate space. Sensor data include two vision systems and force/proximity/tactile sensors on the hands and arms. Planning for a shuttle file experiment is underway. A set of scenarios and strawman requirements were defined to support conceptual development. Initial design activities are expected to begin in late 1989 with the flight occurring in 1994. The flight hardware and software will be based on lessons learned from both the ground prototype and computer simulations

The role of Background Independence for Asymptotic Safety in Quantum Einstein Gravity

We discuss various basic conceptual issues related to coarse graining flows in quantum gravity. In particular the requirement of background independence is shown to lead to renormalization group (RG) flows which are significantly different from their analogs on a rigid background spacetime. The importance of these findings for the asymptotic safety approach to Quantum Einstein Gravity (QEG) is demonstrated in a simplified setting where only the conformal factor is quantized. We identify background independence as a (the ?) key prerequisite for the existence of a non-Gaussian RG fixed point and the renormalizability of QEG.Comment: 2 figures. Talk given by M.R. at the WE-Heraeus-Seminar "Quantum Gravity: Challenges and Perspectives", Bad Honnef, April 14-16, 2008; to appear in General Relativity and Gravitatio

Cosmological Perturbations in Renormalization Group Derived Cosmologies

A linear cosmological perturbation theory of an almost homogeneous and isotropic perfect fluid Universe with dynamically evolving Newton constant $G$ and cosmological constant $\Lambda$ is presented. A gauge-invariant formalism is developed by means of the covariant approach, and the acoustic propagation equations governing the evolution of the comoving fractional spatial gradients of the matter density, $G$, and $\Lambda$ are thus obtained. Explicit solutions are discussed in cosmologies where both $G$ and $\Lambda$ vary according to renormalization group equations in the vicinity of a fixed point.Comment: 22 pages, revtex, subeqn.sty, to appear on IJMP

Assessing the efficiency of first-principles basin-hopping sampling

We present a systematic performance analysis of first-principles basin-hopping (BH) runs, with the target to identify all low-energy isomers of small Si and Cu clusters described within density-functional theory. As representative and widely employed move classes we focus on single-particle and collective moves, in which one or all atoms in the cluster at once are displaced in a random direction by some prescribed move distance, respectively. The analysis provides detailed insights into the bottlenecks and governing factors for the sampling efficiency, as well as simple rules-of-thumb for near-optimum move settings, that are intriguingly independent of the distinctly different chemistry of Si and Cu. At corresponding settings, the observed performance of the BH algorithm employing two simple, general-purpose move classes is already very good, and for the small systems studied essentially limited by frequent revisits to a few dominant isomers.Comment: 11 pages including 8 figures; related publications can be found at http://www.fhi-berlin.mpg.de/th/th.htm

Fractal space-times under the microscope: A Renormalization Group view on Monte Carlo data

The emergence of fractal features in the microscopic structure of space-time is a common theme in many approaches to quantum gravity. In this work we carry out a detailed renormalization group study of the spectral dimension $d_s$ and walk dimension $d_w$ associated with the effective space-times of asymptotically safe Quantum Einstein Gravity (QEG). We discover three scaling regimes where these generalized dimensions are approximately constant for an extended range of length scales: a classical regime where $d_s = d, d_w = 2$, a semi-classical regime where $d_s = 2d/(2+d), d_w = 2+d$, and the UV-fixed point regime where $d_s = d/2, d_w = 4$. On the length scales covered by three-dimensional Monte Carlo simulations, the resulting spectral dimension is shown to be in very good agreement with the data. This comparison also provides a natural explanation for the apparent puzzle between the short distance behavior of the spectral dimension reported from Causal Dynamical Triangulations (CDT), Euclidean Dynamical Triangulations (EDT), and Asymptotic Safety.Comment: 26 pages, 6 figure