Variational QMC study of a Hydrogen atom in jellium with comparison to LSDA and LSDA-SIC solutions

A Hydrogen atom immersed in a finite jellium sphere is solved using variational quantum Monte Carlo (VQMC). The same system is also solved using density functional theory (DFT), in both the local spin density (LSDA) and self-interaction correction (SIC) approximations. The immersion energies calculated using these methods, as functions of the background density of the jellium, are found to lie within 1eV of each other with minima in approximately the same positions. The DFT results show overbinding relative to the VQMC result. The immersion energies also suggest an improved performance of the SIC over the LSDA relative to the VQMC results. The atom-induced density is also calculated and shows a difference between the methods, with a more extended Friedel oscillation in the case of the VQMC result.Comment: 16 pages, 9 Postscript figure

Superconducing Alloys with Weak and Strong Scattering: Anderson's Theorem and a Superconductor-Insulator Transition

We have studied the effects of strong impurity scattering on disordered superconductors beyond the low impurity concentration limit. By applying the full CPA to a superconductiong A-B binary alloy, we calculated the fluctuations of the local order parameters $\Delta_{A}, \Delta_{B}$ and charge densities, $n_{A}, n_{B}$ for weak and strong on site disorder. We find that for narrow band alloy s-wav e superconductors the conditions for Anderson's theorem are satisfied in general only for the case of particle-hole symmetry. In this case it is satisfied regardless whether we are in the weak or strong scattering regimes. Interestingly, we find that strong scattering leads to band splitting and in this regime for any band filling we have a critical concentration where a superconductor-insulator quantum phase transition occurs at T=0.Comment: 28 pages, 13 figure

Induction of non-d-wave order-parameter components by currents in d-wave superconductors

It is shown, within the framework of the Ginzburg-Landau theory for a superconductor with d_{x^2-y^2} symmetry, that the passing of a supercurrent through the sample results, in general, in the induction of order-parameter components of distinct symmetry. The induction of s-wave and d_{xy(x^2-y^2)-wave components are considered in detail. It is shown that in both cases the order parameter remains gapless; however, the structure of the lines of nodes and the lobes of the order parameter are modified in distinct ways, and the magnitudes of these modifications differ in their dependence on the (a-b plane) current direction. The magnitude of the induced s-wave component is estimated using the results of the calculations of Ren et al. [Phys. Rev. Lett. 74, 3680 (1995)], which are based on a microscopic approach.Comment: 15 pages, includes 2 figures. To appear in Phys. Rev.

Interlayer Coupling and p-wave Pairing in Strontium Ruthenate

On the basis of a three orbital model and an effective attractive interaction between electrons we investigate the possible superconducting states, with $p$ and $f$-wave internal symmetry, of Sr$_2$RuO$_4$. For an orbital dependent interaction which acts between in plane and out of plane nearest neighbour Ruthenium atoms we find a state for which the gap in the quasi-particle spectra has a line node on the $\alpha$ and $\beta$ sheets of the Fermi Surface, but it is complex with no nodes on the $\gamma$-sheet. We show that this state is consistent with all the available experimental data. In particular, we present the results of our calculations of the specific heat and penetration depth as functions of the temperature.Comment: 4 pages, 5 figure

Higher anisotropic d-wave symmetry in cuprate superconductors

We derive a pair potential from tight binding further neighbours attraction that leads to superconducting gap symmetry similar to that of the phenomenological spin fluctuation theory of high temperature superconductors (Monthoux, Balatsky, Pines, Phys. Rev. Lett. {\bf 67}, 3448). We show that higher anisotropic d-wave than the simpliest d-wave symmetry is one of the important ingredients responsible for higher BCS characteristic ratio.Comment: Latex 5 pages, 3 figures attached, Journal Ref. : Journal of Physics C, Vol. 11, issue 30, L371-L377 (1999

Dependence of the critical temperature on the Higgs field reparametrization

We show that, despite of the reparametrization symmetry of the Lagrangian describing the interaction between a scalar field and gauge vector bosons, the dynamics of the Higgs mechanism is really affected by the representation gauge chosen for the Higgs field. Actually, we find that, varying the parametrization for the two degrees of freedom of the complex scalar field, we obtain different expressions for the Higgs mass: in its turn this entails different expressions for the critical temperatures, ranging from zero to a maximum value, as well as different expressions for other basic thermodynamical quantities.Comment: revtex, 12 pages, 2 eps figure

Research and education in management of large-scale technical programs

A research effort is reported which was conducted by NASA in conjunction with Drexel University, and which was aimed at an improved understanding of large scale systems technology and management

Superconducting gap node spectroscopy using nonlinear electrodynamics

We present a method to determine the nodal structure of the energy gap of unconventional superconductors such as high $T_c$ materials. We show how nonlinear electrodynamics phenomena in the Meissner regime, arising from the presence of lines on the Fermi surface where the superconducting energy gap is very small or zero, can be used to perform ``node spectroscopy'', that is, as a sensitive bulk probe to locate the angular position of those lines. In calculating the nonlinear supercurrent response, we include the effects of orthorhombic distortion and $a-b$ plane anisotropy. Analytic results presented demonstrate a systematic way to experimentally distinguish order parameters of different symmetries, including cases with mixed symmetry (for example, $d+s$ and $s+id$). We consider, as suggested by various experiments, order parameters with predominantly $d$-wave character, and describe how to determine the possible presence of other symmetries. The nonlinear magnetic moment displays a distinct behavior if nodes in the gap are absent but regions with small, finite, values of the energy gap exist.Comment: 18 pages, Revtex, 9 postscript figures. Submitted to Phys. Rev

BCS to Bose Crossover in Anisotropic Superconductors

In this work we use functional integral techniques to examine the nearest neighbour attractive Hubbard model on a quasi-2D lattice. It is a simple phenomenological model for the high-Tc cuprates that allows both extended (non-local) s- and d-wave singlet superconductivity as well as mixed symmetry states. The Hartree-Gor'kov mean field theory of the model has a finite temperature phase diagram which shows a transition from pure s-wave to pure d-wave superconductivity, via a mixed symmetry s+id state, as a function of doping. Including Gaussian fluctuations we examine the crossover from weak-coupling BCS superconductivity to the strong-coupling Bose-Einstein condensation of composite s- or d-wave bosons and comment on the origin and symmetry of the pseudogap.Comment: 20 pages inc. 13 figure

Self-consistent interface properties of d and s-wave superconductors

We develop a method to solve the Bogoliubov de Gennes equation for superconductors self-consistently, using the recursion method. The method allows the pairing interaction to be either local or non-local corresponding to s and d-wave superconductivity, respectively. Using this method we examine the properties of various S-N and S-S interfaces. In particular we calculate the spatially varying density of states and order parameter for the following geometries (i) s-wave superconductor to normal metal, (ii) d-wave superconductor to normal metal, (iii) d-wave superconductor to s-wave superconductor. We show that the density of states at the interface has a complex structure including the effects of normal surface Friedel oscillations, the spatially varying gap and Andeev states within the gap, and the subtle effects associated with the interplay of the gap and the normal van Hove peaks in the density of states. In the case of bulk d-wave superconductors the surface leads to mixing of different order parameter symmetries near the interface and substantial local filling in of the gap.Comment: 20 pages, Latex and 8 figure