The electronic structure of amorphous silica: A numerical study

We present a computational study of the electronic properties of amorphous SiO2. The ionic configurations used are the ones generated by an earlier molecular dynamics simulations in which the system was cooled with different cooling rates from the liquid state to a glass, thus giving access to glass-like configurations with different degrees of disorder [Phys. Rev. B 54, 15808 (1996)]. The electronic structure is described by a tight-binding Hamiltonian. We study the influence of the degree of disorder on the density of states, the localization properties, the optical absorption, the nature of defects within the mobility gap, and on the fluctuations of the Madelung potential, where the disorder manifests itself most prominently. The experimentally observed mismatch between a photoconductivity threshold of 9 eV and the onset of the optical absorption around 7 eV is interpreted by the picture of eigenstates localized by potential energy fluctuations in a mobility gap of approximately 9 eV and a density of states that exhibits valence and conduction band tails which are, even in the absence of defects, deeply located within the former band gap.Comment: 21 pages of Latex, 5 eps figure

Functional Renormalization of Noncommutative Scalar Field Theory

In this paper we apply the Functional Renormalization Group Equation (FRGE) to the non-commutative scalar field theory proposed by Grosse and Wulkenhaar. We derive the flow equation in the matrix representation and discuss the theory space for the self-dual model. The features introduced by the external dimensionful scale provided by the non-commutativity parameter, originally pointed out in \cite{Gurau:2009ni}, are discussed in the FRGE context. Using a technical assumption, but without resorting to any truncation, it is then shown that the theory is asymptotically safe for suitably small values of the $\phi^4$ coupling, recovering the result of \cite{disertori:2007}. Finally, we show how the FRGE can be easily used to compute the one loop beta-functions of the duality covariant model.Comment: 38 pages, no figures, LaTe

Experimental and theoretical modeling of Fe , Co , Cu , Mn based electrocatalysts for oxygen reduction

Abstract Experience gained during efforts towards optimization of noble metal free electrocatalysts for oxygen reduction is simultaneously used to understand the chemical and morphological necessities for inducing efficient multielectron transfer catalysis. The analysis of many preparative experimental steps between the moderately performing metal porphyrines and the highly efficient transition metal and sulfur containing pyrolised catalyst material contributes to the following model of the catalyst 1. The metals function enclosed in nitrogen or graphitic environment where they are shielded against oxidation. 2. The metals can be exchanged but are not identical in their efficiency. 3. Higher efficiency is only achieved, when the function of a binary reaction center is warranted. 4. The carbonization of the environment is critical and provides intercalated metal centers and attached metal complexes in graphite environment for interaction with the nitrogen chelated partner center in the simultaneously obtained graphene layers. Experimental support for these models from EXAFS, RAMAN, Mössbauer and X ray spectroscopy is given and a parallel is drawn with the cytochrome oxidase oxygen reduction catalysis, which is proposed to proceed according to roughly the same mechanism. A special effort is made to discuss strategies for shielding and protecting catalytically active abundant transition metals against chemical reaction with oxygen or hydrogen peroxide

Preferred foliation effects in Quantum General Relativity

We investigate the infrared (IR) effects of Lorentz violating terms in the gravitational sector using functional renormalization group methods similar to Reuter and collaborators. The model we consider consists of pure quantum gravity coupled to a preferred foliation, described effectively via a scalar field with non-standard dynamics. We find that vanishing Lorentz violation is a UV attractive fixed-point of this model in the local potential approximation. Since larger truncations may lead to differing results, we study as a first example effects of additional matter fields on the RG running of the Lorentz violating term and provide a general argument why they are small.Comment: 12 pages, no figures, compatible with published versio

The Link between General Relativity and Shape Dynamics

We show that one can construct two equivalent gauge theories from a linking theory and give a general construction principle for linking theories which we use to construct a linking theory that proves the equivalence of General Relativity and Shape Dynamics, a theory with fixed foliation but spatial conformal invariance. This streamlines the rather complicated construction of this equivalence performed previously. We use this streamlined argument to extend the result to General Relativity with asymptotically flat boundary conditions. The improved understanding of linking theories naturally leads to the Lagrangian formulation of Shape Dynamics, which allows us to partially relate the degrees of freedom.Comment: 19 pages, LaTeX, no figure

Electron Impact Ionization Close to the Threshold: Classical Calculations

In this paper we present Classical Trajectory Monte Carlo (CTMC) calculations for single and multiple electron ionization of Argon atoms and ions in the threshold region. We are able to recover the Wannier exponents a for the power-law behavior of the cross section s versus excess energy: the exact value of the exponent as well as the existence of its saturation for multiple ionization appear to be related to how the total binding energy is shared between target electrons.Comment: 9 pages. To be published in Journal of Physics

Towards new background independent representations for Loop Quantum Gravity

Recently, uniqueness theorems were constructed for the representation used in Loop Quantum Gravity. We explore the existence of alternate representations by weakening the assumptions of the so called LOST uniqueness theorem. The weakened assumptions seem physically reasonable and retain the key requirement of explicit background independence. For simplicity, we restrict attention to the case of gauge group U(1).Comment: 22 pages, minor change