Buckling and d-Wave Pairing in HiTc-Superconductors

We have investigated whether the electron-phonon interaction can support a d-wave gap-anisotropy. On the basis of models derived from LDA calculations, as well as LDA linear-response calculations we argue that this is the case, for materials with buckled or dimpled CuO2 planes, for the so-called buckling modes, which involve out-of-plane movements of the plane oxygens.Comment: 5pages, Latex2e, 6 Postscript figure

Third-generation muffin-tin orbitals

By the example of sp^3-bonded semiconductors, we illustrate what 3rd-generation muffin-tin orbitals (MTOs) are. We demonstrate that they can be downfolded to smaller and smaller basis sets: sp^3d^10,sp^3, and bond orbitals. For isolated bands, it is possible to generate Wannier functions a priori. Also for bands, which overlap other bands, Wannier-like MTOs can be generated a priori. Hence, MTOs have a unique capability for providing chemical understanding.Comment: 13 pages, 8 eps figure

Cold Quark Matter, Quadratic Corrections and Gauge/String Duality

We make an estimate of the quadratic correction in the pressure of cold quark matter using gauge/string duality.Comment: 7 pages; v.2: reference added; v.3: reference and comments added, version to appear in PRD; v4. final version to appear in PRD; v.5: key reference adde

Investigating 16O with the 15N(p,{\alpha})12C reaction

The 16O nucleus was investigated through the 15N(p,{\alpha})12C reaction at excitation energies from Ex = 12 231 to 15 700 keV using proton beams from a 5 MeV Van de Graaff accelerator at beam energies of Ep = 331 to 3800 keV. Alpha decay from resonant states in 16O was strongly observed for ten known excited states in this region. The candidate 4-alpha cluster state at Ex = 15.1 MeV was investigated particularly intensely in order to understand its particle decay channels.Comment: Submitted for Proceedings of Fourth International Workshop on State of the Art in Nuclear Cluster Physics (SOTANCP4), held from May 13 - 18, 2018 in Galveston, TX, US

Out-of-plane instability and electron-phonon contribution to s- and d-wave pairing in high-temperature superconductors; LDA linear-response calculation for doped CaCuO2 and a generic tight-binding model

The equilibrium structure, energy bands, phonon dispersions, and s- and d-channel electron-phonon interactions (EPIs) are calculated for the infinite-layer superconductor CaCuO2 doped with 0.24 holes per CuO2. The LDA and the linear-response full-potential LMTO method were used. In the equilibrium structure, oxygen is found to buckle slightly out of the plane and, as a result, the characters of the energy bands near EF are found to be similar to those of other optimally doped HTSCs. For the EPI we find lambda(s)=0.4, in accord with previous LDA calculations for YBa2Cu3O7. This supports the common belief that the EPI mechanism alone is insufficient to explain HTSC. Lambda(x^2-y^2) is found to be positive and nearly as large as lambda(s). This is surprising and indicates that the EPI could enhance some other d-wave pairing mechanism. Like in YBa2Cu3O7, the buckling modes contribute significantly to the EPI, although these contributions are proportional to the static buckling and would vanish for flat planes. These numerical results can be understood from a generic tight-binding model originally derived from the LDA bands of YBa2Cu3O7. In the future, the role of anharmonicity of the buckling-modes and the influence of the spin-fluctuations should be investigated.Comment: 19 pages, 9 Postscript figures, Late

Screened Perturbation Theory to Three Loops

The thermal physics of a massless scalar field with a phi^4 interaction is studied within screened perturbation theory (SPT). In this method the perturbative expansion is reorganized by adding and subtracting a mass term in the lagrangian. We consider several different mass prescriptions that generalize the one-loop gap equation to two-loop order. We calculate the pressure and entropy to three-loop order and the screening mass to two-loop order. In contrast to the weak-coupling expansion, the SPT-improved approximations appear to converge even for rather large values of the coupling constant.Comment: 30 pages, 10 figure

First-principles scattering matrices for spin-transport

Details are presented of an efficient formalism for calculating transmission and reflection matrices from first principles in layered materials. Within the framework of spin density functional theory and using tight-binding muffin-tin orbitals, scattering matrices are determined by matching the wave-functions at the boundaries between leads which support well-defined scattering states and the scattering region. The calculation scales linearly with the number of principal layers N in the scattering region and as the cube of the number of atoms H in the lateral supercell. For metallic systems for which the required Brillouin zone sampling decreases as H increases, the final scaling goes as H^2*N. In practice, the efficient basis set allows scattering regions for which H^{2}*N ~ 10^6 to be handled. The method is illustrated for Co/Cu multilayers and single interfaces using large lateral supercells (up to 20x20) to model interface disorder. Because the scattering states are explicitly found, ``channel decomposition'' of the interface scattering for clean and disordered interfaces can be performed.Comment: 22 pages, 13 figure

Thermodynamics of O(N) sigma models: 1/N corrections

The thermodynamics of the O(N) linear and nonlinear sigma models in 3+1 dimensions is studied. We calculate the pressure to next-to-leading order in the 1/N expansion and show that at this order, temperature-independent renormalization is only possible at the minimum of the effective potential. The 1/N expansion is found to be a good expansion for N as low as 4, which is the case relevant for low-energy QCD phenomenology. We consider the cases with and without explicit symmetry breaking. We show that previous next-to-leading order calculations of the pressure are either breaking down in the temperatures of interest, or based on unjustifiable high-energy approximations.Comment: 11 pages, 5 figures, revte

Augmented space recursion for partially disordered systems

Off-stoichiometric alloys exhibit partial disorder, in the sense that only some of the sublattices of the stoichiometric ordered alloy become disordered. This paper puts forward a generalization of the augmented space recursion (ASR) (introduced earlier by one of us (Mookerjee et al 1997(*))) for systems with many atoms per unit cell. In order to justify the convergence properties of ASR we have studied the convergence of various moments of local density of states and other physical quantities like Fermi energy and band energy. We have also looked at the convergence of the magnetic moment of Ni, which is very sensitive to numerical approximations towards the k-space value 0.6 $\mu_{B}$ with the number of recursion steps prior to termination.Comment: Latex 2e, 21 Pages, 13 Figures, iopb style file attache

Conductance calculations for quantum wires and interfaces: mode matching and Green functions

Landauer's formula relates the conductance of a quantum wire or interface to transmission probabilities. Total transmission probabilities are frequently calculated using Green function techniques and an expression first derived by Caroli. Alternatively, partial transmission probabilities can be calculated from the scattering wave functions that are obtained by matching the wave functions in the scattering region to the Bloch modes of ideal bulk leads. An elegant technique for doing this, formulated originally by Ando, is here generalized to any Hamiltonian that can be represented in tight-binding form. A more compact expression for the transmission matrix elements is derived and it is shown how all the Green function results can be derived from the mode matching technique. We illustrate this for a simple model which can be studied analytically, and for an Fe|vacuum|Fe tunnel junction which we study using first-principles calculations.Comment: 14 pages, 5 figure