CO adsorption on (111) and (100) surfaces of the Pt sub 3 Ti alloy. Evidence for parallel binding and strong activation of CO

The CO adsorption on a 40 atom cluster model of the (111) surface and a 36 atom cluster model of the (100) surface of the Pt3Ti alloy was studied. Parallel binding to high coordinate sites associated with Ti and low CO bond scission barriers are predicted for both surfaces. The binding of CO to Pt sites occurs in an upright orientation. These orientations are a consequence of the nature of the CO pi donation interactions with the surface. On the Ti sites the orbitals donate to the nearly empty Ti 3d band and the antibonding counterpart orbitals are empty. On the Pt sites, however, they are in the filled Pt 5d region of the alloy band, which causes CO to bond in a vertical orientation by 5 delta donation from the carbon end

Preliminary testing of a prototype portable X-ray fluorescence spectrometer

A portable X-ray fluorescence spectrometer for use as an analyzer in mineral resource investigative work was built and tested. The prototype battery powered spectrometer, measuring 11 by 12 by 5 inches and weighing only about 15 pounds, was designed specifically for field use. The spectrometer has two gas proportional counters and two radioactive sources, Cd (10a) and Fe (55). Preliminary field and laboratory tests on rock specimens and rock pulps have demonstrated the capability of the spectrometer to detect 33 elements to date. Characteristics of the system present some limitations, however, and further improvements are recommended

New interpretation of variational principles for gauge theories. I. Cyclic coordinate alternative to ADM split

I show how there is an ambiguity in how one treats auxiliary variables in gauge theories including general relativity cast as 3 + 1 geometrodynamics. Auxiliary variables may be treated pre-variationally as multiplier coordinates or as the velocities corresponding to cyclic coordinates. The latter treatment works through the physical meaninglessness of auxiliary variables' values applying also to the end points (or end spatial hypersurfaces) of the variation, so that these are free rather than fixed. [This is also known as variation with natural boundary conditions.] Further principles of dynamics workings such as Routhian reduction and the Dirac procedure are shown to have parallel counterparts for this new formalism. One advantage of the new scheme is that the corresponding actions are more manifestly relational. While the electric potential is usually regarded as a multiplier coordinate and Arnowitt, Deser and Misner have regarded the lapse and shift likewise, this paper's scheme considers new {\it flux}, {\it instant} and {\it grid} variables whose corresponding velocities are, respectively, the abovementioned previously used variables. This paper's way of thinking about gauge theory furthermore admits interesting generalizations, which shall be provided in a second paper.Comment: 11 page

Determining the underlying Fermi surface of strongly correlated superconductors

The notion of a Fermi surface (FS) is one of the most ingenious concepts developed by solid state physicists during the past century. It plays a central role in our understanding of interacting electron systems. Extraordinary efforts have been undertaken, both by experiment and by theory, to reveal the FS of the high temperature superconductors (HTSC), the most prominent strongly correlated superconductors. Here, we discuss some of the prevalent methods used to determine the FS and show that they lead generally to erroneous results close to half filling and at low temperatures, due to the large superconducting gap (pseudogap) below (above) the superconducting transition temperature. Our findings provide a perspective on the interplay between strong correlations and superconductivity and highlight the importance of strong coupling theories for the characterization as well as the determination of the underlying FS in ARPES experiments

Spontaneous superconductivity and optical properties of high-Tc cuprates

We suggest that the high temperature superconductivity in cuprate compounds may emerge due to interaction between copper-oxygen layers mediated by in-plane plasmons. The strength of the interaction is determined by the c-axis geometry and by the ab-plane optical properties. Without making reference to any particular in-plane mechanism of superconductivity, we show that the interlayer interaction favors spontaneous appearance of the superconductivity in the layers. At a qualitative level the model describes correctly the dependence of the transition temperature on the interlayer distance, and on the number of adjacent layers in multilayered homologous compounds. Moreover, the model has a potential to explain (i) a mismatch between the optimal doping levels for critical temperature and superconducting density and (ii) a universal scaling relation between the dc-conductivity, the superfluid density, and the superconducting transition temperature.Comment: 4.4 pages, 2 figures; v2 matches the published version (clarifying remarks and references are added

Scale-invariance in gravity and implications for the cosmological constant

Recently a scale invariant theory of gravity was constructed by imposing a conformal symmetry on general relativity. The imposition of this symmetry changed the configuration space from superspace - the space of all Riemannian 3-metrics modulo diffeomorphisms - to conformal superspace - the space of all Riemannian 3-metrics modulo diffeomorphisms and conformal transformations. However, despite numerous attractive features, the theory suffers from at least one major problem: the volume of the universe is no longer a dynamical variable. In attempting to resolve this problem a new theory is found which has several surprising and atractive features from both quantisation and cosmological perspectives. Furthermore, it is an extremely restrictive theory and thus may provide testable predictions quickly and easily. One particularly interesting feature of the theory is the resolution of the cosmological constant problem.Comment: Replaced with final version: minor changes to text; references adde

First-principles study of ferroelectric domain walls in multiferroic bismuth ferrite

We present a first-principles density functional study of the structural, electronic and magnetic properties of the ferroelectric domain walls in multiferroic BiFeO3. We find that domain walls in which the rotations of the oxygen octahedra do not change their phase when the polarization reorients are the most favorable, and of these the 109 degree domain wall centered around the BiO plane has the lowest energy. The 109 degree and 180 degree walls have a significant change in the component of their polarization perpendicular to the wall; the corresponding step in the electrostatic potential is consistent with a recent report of electrical conductivity at the domain walls. Finally, we show that changes in the Fe-O-Fe bond angles at the domain walls cause changes in the canting of the Fe magnetic moments which can enhance the local magnetization at the domain walls.Comment: 9 pages, 20 figure