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

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

Finite size effects and localization properties of disordered quantum wires with chiral symmetry

Finite size effects in the localization properties of disordered quantum wires are analyzed through conductance calculations. Disorder is induced by introducing vacancies at random positions in the wire and thus preserving the chiral symmetry. For quasi one-dimensional geometries and low concentration of vacancies, an exponential decay of the mean conductance with the wire length is obtained even at the center of the energy band. For wide wires, finite size effects cause the conductance to decay following a non-pure exponential law. We propose an analytical formula for the mean conductance that reproduces accurately the numerical data for both geometries. However, when the concentration of vacancies increases above a critical value, a transition towards the suppression of the conductance occurs. This is a signature of the presence of ultra-localized states trapped in finite regions of the sample.Comment: 5 figures, revtex

Equivalent Fixed-Points in the Effective Average Action Formalism

Starting from a modified version of Polchinski's equation, Morris' fixed-point equation for the effective average action is derived. Since an expression for the line of equivalent fixed-points associated with every critical fixed-point is known in the former case, this link allows us to find, for the first time, the analogous expression in the latter case.Comment: 30 pages; v2: 29 pages - major improvements to section 3; v3: published in J. Phys. A - minor change

Einstein gravity as a 3D conformally invariant theory

We give an alternative description of the physical content of general relativity that does not require a Lorentz invariant spacetime. Instead, we find that gravity admits a dual description in terms of a theory where local size is irrelevant. The dual theory is invariant under foliation preserving 3-diffeomorphisms and 3D conformal transformations that preserve the 3-volume (for the spatially compact case). Locally, this symmetry is identical to that of Horava-Lifshitz gravity in the high energy limit but our theory is equivalent to Einstein gravity. Specifically, we find that the solutions of general relativity, in a gauge where the spatial hypersurfaces have constant mean extrinsic curvature, can be mapped to solutions of a particular gauge fixing of the dual theory. Moreover, this duality is not accidental. We provide a general geometric picture for our procedure that allows us to trade foliation invariance for conformal invariance. The dual theory provides a new proposal for the theory space of quantum gravity.Comment: 27 pages. Published version (minor changes and corrections

Electronic Structure of Dangling Bonds in Amorphous Silicon Studied via a Density-Matrix Functional Method

A structural model of hydrogenated amorphous silicon containing an isolated dangling bond is used to investigate the effects of electron interactions on the electronic level splittings, localization of charge and spin, and fluctuations in charge and spin. These properties are calculated with a recently developed density-matrix correlation-energy functional applied to a generalized Anderson Hamiltonian, consisting of tight-binding one-electron terms parametrizing hydrogenated amorphous silicon plus a local interaction term. The energy level splittings approach an asymptotic value for large values of the electron-interaction parameter U, and for physically relevant values of U are in the range 0.3-0.5 eV. The electron spin is highly localized on the central orbital of the dangling bond while the charge is spread over a larger region surrounding the dangling bond site. These results are consistent with known experimental data and previous density-functional calculations. The spin fluctuations are quite different from those obtained with unrestricted Hartree-Fock theory.Comment: 6 pages, 6 figures, 1 tabl

Mixed Atomistic–Continuum Models of Material Behavior: The Art of Transcending Atomistics and Informing Continua

The recent development of microscopes that allow for the examination of defects at the atomic scale has made possible a more direct connection between the defects and the macroscopic response they engender (see, e.g., the December 1999 issue of MRS Bulletin)