Conserving approximations in direct perturbation theory: new semianalytical impurity solvers and their application to general lattice problems

For the treatment of interacting electrons in crystal lattices approximations based on the picture of effective sites, coupled in a self-consistent fashion, have proven very useful. Particularly in the presence of strong local correlations, a local approach to the problem, combining a powerful method for the short ranged interactions with the lattice propagation part of the dynamics, determines the quality of results to a large extent. For a considerable time the non crossing approximation (NCA) in direct perturbation theory, an approach originally developed by Keiter for the Anderson impurity model, built a standard for the description of the local dynamics of interacting electrons. In the last couple of years exact methods like the numerical renormalization group (NRG) as pioneered by Wilson, have surpassed this approximation as regarding the description of the low energy regime. We present an improved approximation level of direct perturbation theory for finite Coulomb repulsion U, the crossing approximation one (CA1) and discuss its connections with other generalizations of NCA. CA1 incorporates all processes up to fourth order in the hybridization strength V in a self-consistent skeleton expansion, retaining the full energy dependence of the vertex functions. We reconstruct the local approach to the lattice problem from the point of view of cumulant perturbation theory in a very general way and discuss the proper use of impurity solvers for this purpose. Their reliability can be tested in applications to e.g. the Hubbard model and the Anderson-lattice model. We point out shortcomings of existing impurity solvers and improvements gained with CA1 in this context. This paper is dedicated to the memory of Hellmut Keiter.Comment: 45 pages, 22 figure

The Hubbard Model at Infinite Dimensions: Thermodynamic and Transport Properties

We present results on thermodynamic quantities, resistivity and optical conductivity for the Hubbard model on a simple hypercubic lattice in infinite dimensions. Our results for the paramagnetic phase display the features expected from an intuitive analysis of the one-particle spectra and substantiate the similarity of the physics of the Hubbard model to those of heavy fermion systems. The calculations were performed using an approximate solution to the single-impurity Anderson model, which is the key quantity entering the solution of the Hubbard model in this limit. To establish the quality of this approximation we compare its results, together with those obtained from two other widely used methods, to essentially exact quantum Monte Carlo results.Comment: 29 pages, 16 figure

Attribution of ozone changes to dynamical and chemical processes in CCMs and CTMs

Chemistry-climate models (CCMs) are commonly used to simulate the past and future development of Earth's ozone layer. The fully coupled chemistry schemes calculate the chemical production and destruction of ozone interactively and ozone is transported by the simulated atmospheric flow. Due to the complexity of the processes acting on ozone it is not straightforward to disentangle the influence of individual processes on the temporal development of ozone concentrations. A method is introduced here that quantifies the influence of chemistry and transport on ozone concentration changes and that is easily implemented in CCMs and chemistry-transport models (CTMs). In this method, ozone tendencies (i.e. the time rate of change of ozone) are partitioned into a contribution from ozone production and destruction (chemistry) and a contribution from transport of ozone (dynamics). The influence of transport on ozone in a specific region is further divided into export of ozone out of that region and import of ozone from elsewhere into that region. For this purpose, a diagnostic is used that disaggregates the ozone mixing ratio field into 9 separate fields according to in which of 9 predefined regions of the atmosphere the ozone originated. With this diagnostic the ozone mass fluxes between these regions are obtained. Furthermore, this method is used here to attribute long-term changes in ozone to chemistry and transport. The relative change in ozone from one period to another that is due to changes in production or destruction rates, or due to changes in import or export of ozone, are quantified. As such, the diagnostics introduced here can be used to attribute changes in ozone on monthly, interannual and long-term time-scales to the responsible mechanisms. Results from a CCM simulation are shown here as examples, with the main focus of the paper being on introducing the method

Identifying spin-triplet pairing in spin-orbit coupled multi-band superconductors

We investigate the combined effect of Hund's and spin-orbit (SO) coupling on superconductivity in multi-orbital systems. Hund's interaction leads to orbital-singlet spin-triplet superconductivity, where the Cooper pair wave function is antisymmetric under the exchange of two orbitals. We identify three d-vectors describing even-parity orbital-singlet spin-triplet pairings among t2g-orbitals, and find that the three d-vectors are mutually orthogonal to each other. SO coupling further assists pair formation, pins the orientation of the d-vector triad, and induces spin-singlet pairings with a relative phase difference of \pi/2. In the band basis the pseudospin d-vectors are aligned along the z-axis and correspond to momentum-dependent inter- and intra-band pairings. We discuss quasiparticle dispersion, magnetic response, collective modes, and experimental consequences in light of the superconductor Sr2RuO4.Comment: 6 pages, 5 figure

Stall Inception in Low-Pressure Ratio Fans

A combined experimental and computational test program, with two low-pressure ratio aero-engine fans, has been used to identify the flow mechanisms at stall inception and the subsequent stall cell growth. The two fans have the same rotor tip clearance, annulus design, and downstream stators, but different levels of tip loading. The measurement data show that both the fans stall via spike-type inception, but that the growth of the stall cell and the final cell size is different in each fan. The computations, reproducing both the qualitative and quantitative behavior of the steady-state and transient measurements, are used to identify the flow mechanisms at the origin of stall inception. In one fan, spillage of tip leakage flow upstream of the leading edge plane is responsible. In the other, sudden growth of casing corner separation blockage leads to stall. These two mechanisms are in accord with the findings from core compressors. However, the transonic aerodynamics and the low hub-to-tip radius ratio of the fans lead to the following two findings: first, the casing corner separation is driven by shock-boundary layer interaction and second, the spanwise loading distribution of the fan determines whether the spike develops into full-span or part-span stall and both types of behavior are represented in the present work. Finally, the axial momentum flux of the tip clearance flow is shown to be a useful indicator of the leakage jet spillage mechanism. A simple model is provided that links the tip loading, stagger, and solidity with the tip clearance axial momentum flux, thereby allowing the aerodynamicist to connect, qualitatively, design parameters with the stall behavior of the fan.</jats:p

Electrodynamics of electron doped iron-pnictide superconductors: Normal state properties

The electrodynamic properties of Ba(Fe$_{0.92}$Co$_{0.08})_2$As$_{2}$ and Ba(Fe$_{0.95}$Ni$_{0.05})_As$_{2}$single crystals have been investigated by reflectivity measurements in a wide frequency range. In the metallic state, the optical conductivity consists of a broad incoherent background and a narrow Drude-like component which determines the transport properties; only the latter contribution strongly depends on the composition and temperature. This subsystem reveals a$T^2$behavior in the dc resistivity and scattering rate disclosing a hidden Fermi-liquid behavior in the 122 iron-pnictide family. An extended Drude analysis yields the frequency dependence of the effective mass (with$m^*/m_b\approx 5$ in the static limit) and scattering rate that does not disclose a simple power law. The spectral weight shifts to lower energies upon cooling; a significant fraction is not recovered within the infrared range of frequencies.Comment: 13 pages, 9 figure

Kinks in the electronic dispersion of the Hubbard model away from half filling

We study kinks in the electronic dispersion of a generic strongly correlated system by dynamic mean-field theory (DMFT). The focus is on doped systems away from particle-hole symmetry where valence fluctuations matter potentially. Three different algorithms are compared to asses their strengths and weaknesses, as well as to clearly distinguish physical features from algorithmic artifacts. Our findings extend a view previously established for half-filled systems where kinks reflect the coupling of the fermionic quasiparticles to emergent collective modes, which are identified here as spin fluctuations. Kinks are observed when strong spin fluctuations are present and, additionally, a separation of energy scales for spin and charge excitations exists. Both criteria are met by strongly correlated systems close to a Mott-insulator transition. The energies of the kinks and their doping dependence fit well to the kinks in the cuprates, which is surprising in view of the spatial correlations neglected by DMFT.Comment: 13 pages, 15 figure

A New Heavy-Fermion Superconductor CeIrIn5: Relative of the Cuprates?

CeIrIn5 is a member of a new family of heavy-fermion compounds and has a Sommerfeld specific heat coefficient of 720 mJ/mol-K2. It exhibits a bulk, thermodynamic transition to a superconducting state at Tc=0.40 K, below which the specific heat decreases as T2 to a small residual T-linear value. Surprisingly, the electrical resistivity drops below instrumental resolution at a much higher temperature T0=1.2 K. These behaviors are highly reproducible and field-dependent studies indicate that T0 and Tc arise from the same underlying electronic structure. The layered crystal structure of CeIrIn5 suggests a possible analogy to the cuprates in which spin/charge pair correlations develop well above Tc

Inelastic Neutron scattering in CeSi_{2-x}Ga_x ferromagnetic Kondo lattice compounds

Inelastic neutron scattering investigation on ferromagnetic Kondo lattice compounds belonging to CeSi_{2-x}Ga_{x}, x = 0.7, 1.0 and 1.3, system is reported. The thermal evolution of the quasielastic response shows that the Kondo interactions dominate over the RKKY interactions with increase in Ga concentration from 0.7 to 1.3. This is related to the increase in k-f hybridization with increasing Ga concentration. The high energy response indicates the ground state to be split by crystal field in all three compounds. Using the experimental results we have calculated the crystal field parameters in all three compounds studied here.Comment: 12 Pages Revtex, 2 eps figures