An Effective-Medium Tight-Binding Model for Silicon

A new method for calculating the total energy of Si systems is presented. The method is based on the effective-medium theory concept of a reference system. Instead of calculating the energy of an atom in the system of interest a reference system is introduced where the local surroundings are similar. The energy of the reference system can be calculated selfconsistently once and for all while the energy difference to the reference system can be obtained approximately. We propose to calculate it using the tight-binding LMTO scheme with the Atomic-Sphere Approximation(ASA) for the potential, and by using the ASA with charge-conserving spheres we are able to treat open system without introducing empty spheres. All steps in the calculational method is {\em ab initio} in the sense that all quantities entering are calculated from first principles without any fitting to experiment. A complete and detailed description of the method is given together with test calculations of the energies of phonons, elastic constants, different structures, surfaces and surface reconstructions. We compare the results to calculations using an empirical tight-binding scheme.Comment: 26 pages (11 uuencoded Postscript figures appended), LaTeX, CAMP-090594-

A radium assay technique using hydrous titanium oxide adsorbent for the Sudbury Neutrino Observatory

As photodisintegration of deuterons mimics the disintegration of deuterons by neutrinos, the accurate measurement of the radioactivity from thorium and uranium decay chains in the heavy water in the Sudbury Neutrino Observatory (SNO) is essential for the determination of the total solar neutrino flux. A radium assay technique of the required sensitivity is described that uses hydrous titanium oxide adsorbent on a filtration membrane together with a beta-alpha delayed coincidence counting system. For a 200 tonne assay the detection limit for 232Th is a concentration of 3 x 10^(-16) g Th/g water and for 238U of 3 x 10^(-16) g U/g water. Results of assays of both the heavy and light water carried out during the first two years of data collection of SNO are presented.Comment: 12 pages, 4 figure

First principles electronic structure of spinel LiCr2O4: A possible half-metal?

We have employed first-principles electronic structure calculations to examine the hypothetical (but plausible) oxide spinel, LiCr2O4 with the d^{2.5} electronic configuration. The cell (cubic) and internal (oxygen position) structural parameters have been obtained for this compound through structural relaxation in the first-principles framework. Within the one-electron band picture, we find that LiCr2O4 is magnetic, and a candidate half-metal. The electronic structure is substantially different from the closely related and well known rutile half-metal CrO2. In particular, we find a smaller conduction band width in the spinel compound, perhaps as a result of the distinct topology of the spinel crystal structure, and the reduced oxidation state. The magnetism and half-metallicity of LiCr2O4 has been mapped in the parameter space of its cubic crystal structure. Comparisons with superconducting LiTi2O4 (d^{0.5}), heavy-fermion LiV2O4 (d^{1.5}) and charge-ordering LiMn2O4 (d^{3.5}) suggest the effectiveness of a nearly-rigid band picture involving simple shifts of the position of E_F in these very different materials. Comparisons are also made with the electronic structure of ZnV2O4 (d^{2}), a correlated insulator that undergoes a structural and antiferromagnetic phase transition.Comment: 9 pages, 7 Figures, version as published in PR

Optical symmetries and anisotropic transport in high-Tc superconductors

A simple symmetry analysis of in-plane and out-of-plane transport in a family of high temperature superconductors is presented. It is shown that generalized scaling relations exist between the low frequency electronic Raman response and the low frequency in-plane and out-of-plane conductivities in both the normal and superconducting states of the cuprates. Specifically, for both the normal and superconducting state, the temperature dependence of the low frequency $B_{1g}$ Raman slope scales with the $c-$axis conductivity, while the $B_{2g}$ Raman slope scales with the in-plane conductivity. Comparison with experiments in the normal state of Bi-2212 and Y-123 imply that the nodal transport is largely doping independent and metallic, while transport near the BZ axes is governed by a quantum critical point near doping $p\sim 0.22$ holes per CuO$_{2}$ plaquette. Important differences for La-214 are discussed. It is also shown that the $c-$ axis conductivity rise for $T\ll T_{c}$ is a consequence of partial conservation of in-plane momentum for out-of-plane transport.Comment: 16 pages, 8 Figures (3 pages added, new discussion on pseudogap and charge ordering in La214

Inverse magnetic catalysis in field theory and gauge-gravity duality

We investigate the surface of the chiral phase transition in the three-dimensional parameter space of temperature, baryon chemical potential and magnetic field in two different approaches, the field-theoretical Nambu-Jona-Lasinio (NJL) model and the holographic Sakai-Sugimoto model. The latter is a top-down approach to a gravity dual of QCD with an asymptotically large number of colors and becomes, in a certain limit, dual to an NJL-like model. Our main observation is that, at nonzero chemical potential, a magnetic field can restore chiral symmetry, in apparent contrast to the phenomenon of magnetic catalysis. This "inverse magnetic catalysis" occurs in the Sakai-Sugimoto model and, for sufficiently large coupling, in the NJL model and is related to the physics of the lowest Landau level. While in most parts our discussion is a pedagogical review of previously published results, we include new analytical results for the NJL approach and a thorough comparison of inverse magnetic catalysis in the two approaches.Comment: 37 pages, 11 figures, to appear in Lect. Notes Phys. "Strongly interacting matter in magnetic fields" (Springer), edited by D. Kharzeev, K. Landsteiner, A. Schmitt, H.-U. Ye

Lattice QCD Simulations in External Background Fields

We discuss recent results and future prospects regarding the investigation, by lattice simulations, of the non-perturbative properties of QCD and of its phase diagram in presence of magnetic or chromomagnetic background fields. After a brief introduction to the formulation of lattice QCD in presence of external fields, we focus on studies regarding the effects of external fields on chiral symmetry breaking, on its restoration at finite temperature and on deconfinement. We conclude with a few comments regarding the effects of electromagnetic background fields on gluodynamics.Comment: 31 pages, 10 figures, minor changes and references added. To appear in Lect. Notes Phys. "Strongly interacting matter in magnetic fields" (Springer), edited by D. Kharzeev, K. Landsteiner, A. Schmitt, H.-U. Ye

Mechanisms of international influence on domestic elite sport policy

In the analysis of sport policy the permeability of domestic policy processes and the significance of non-domestic policy influences is increasingly acknowledged. There is also a growing awareness of the role of domestic institutional arrangements in mediating influences external to the domestic policy system. Taking the interaction between non-domestic influences and domestic policy processes as its starting point the article evaluates, in relation to elite sport, the variety of mechanisms that have been identified as linking the domestic and non-domestic policy spheres. It is argued that the mechanisms vary in relation to the locus of initiative, the basis of engagement, the key relationships and the nature of power relationships. It is also argued that in many countries in relation to elite sport policy there is a dual process in operation of domestically initiated policy learning and non-domestically initiated policy harmonisation through policy regimes