Electronic transport coefficients from ab initio simulations and application to dense liquid hydrogen

Using Kubo's linear response theory, we derive expressions for the frequency-dependent electrical conductivity (Kubo-Greenwood formula), thermopower, and thermal conductivity in a strongly correlated electron system. These are evaluated within ab initio molecular dynamics simulations in order to study the thermoelectric transport coefficients in dense liquid hydrogen, especially near the nonmetal-to-metal transition region. We also observe significant deviations from the widely used Wiedemann-Franz law which is strictly valid only for degenerate systems and give an estimate for its valid scope of application towards lower densities

Unified description of ballistic and diffusive carrier transport in semiconductor structures

A unified theoretical description of ballistic and diffusive carrier transport in parallel-plane semiconductor structures is developed within the semiclassical model. The approach is based on the introduction of a thermo-ballistic current consisting of carriers which move ballistically in the electric field provided by the band edge potential, and are thermalized at certain randomly distributed equilibration points by coupling to the background of impurity atoms and carriers in equilibrium. The sum of the thermo-ballistic and background currents is conserved, and is identified with the physical current. The current-voltage characteristic for nondegenerate systems and the zero-bias conductance for degenerate systems are expressed in terms of a reduced resistance. For arbitrary mean free path and arbitrary shape of the band edge potential profile, this quantity is determined from the solution of an integral equation, which also provides the quasi-Fermi level and the thermo-ballistic current. To illustrate the formalism, a number of simple examples are considered explicitly. The present work is compared with previous attempts towards a unified description of ballistic and diffusive transport.Comment: 23 pages, 10 figures, REVTEX

Spin dependent point potentials in one and three dimensions

We consider a system realized with one spinless quantum particle and an array of $N$ spins 1/2 in dimension one and three. We characterize all the Hamiltonians obtained as point perturbations of an assigned free dynamics in terms of some ``generalized boundary conditions''. For every boundary condition we give the explicit formula for the resolvent of the corresponding Hamiltonian. We discuss the problem of locality and give two examples of spin dependent point potentials that could be of interest as multi-component solvable models.Comment: 15 pages, some misprints corrected, one example added, some references modified or adde

Capim-elefante anão sob pastejo. II. Valor nutritivo.

O valor nutritivo do capim-elefante anão (Pennisetum purpureum Schum.) foi estudado num ensaio de pastejo. Pressão de pastejo (PP) e ciclo de pastejo (CP) foram aplicados em cinco níveis cada: PP-500, 1.000, 1.500, 2.000 e 2.500 kg de MS de folha residual ha-1 após o pastejo e CP-0 (pastejo contínuo), 14, 28, 42 e 56 dias. Cada CP incluiu dois dias de pastejo e um período de descanso específico para cada nível. O desenho experimental foi um composto central, não-rotável, com treze combinações em duas repetições. O modelo usado foi o polinômio completo do segundo grau. A proteína bruta das folhas e dos colmos aumentou com a elevação da PP e diminuição do CP. A digestibilidade in vitro das folhas, colmos e "forragem consumida" pareceu responder quadraticamente ao CP. As PPs mais altas tenderam a favorecer a digestibilidade dos colmos. A proteína da "forragem consumida" foi estimulada por CPs curtos. O ponto ótimo para digestibilidade da "forragem consumida" ficou em torno da combinação de 1.500 kg de MS de folha residual ha-1 de PP com 14 dias de CP. O valor nutritivo das folhas foi bem maior que o dos colmos, e a excelente qualidade da "forragem consumida" revelou o grande potencial desse capim sob pastejo

Time-Dependent Current Partition in Mesoscopic Conductors

The currents at the terminals of a mesoscopic conductor are evaluated in the presence of slowly oscillating potentials applied to the contacts of the sample. The need to find a charge and current conserving solution to this dynamic current partition problem is emphasized. We present results for the electro-chemical admittance describing the long range Coulomb interaction in a Hartree approach. For multiply connected samples we discuss the symmetry of the admittance under reversal of an Aharonov-Bohm flux.Comment: 22 pages, 3 figures upon request, IBM RC 1971

Limit on suppression of ionization in metastable neon traps due to long-range anisotropy

This paper investigates the possibility of suppressing the ionization rate in a magnetostatic trap of metastable neon atoms by spin-polarizing the atoms. Suppression of the ionization is critical for the possibility of reaching Bose-Einstein condensation with such atoms. We estimate the relevant long-range interactions for the system, consisting of electric quadrupole-quadrupole and dipole-induced dipole terms, and develop short-range potentials based on the Na_2 singlet and triplet potentials. The auto-ionization widths of the system are also calculated. With these ingredients we calculate the ionization rate for spin-polarized and for spin-isotropic samples, caused by anisotropy of the long-range interactions. We find that spin-polarization may allow for four orders of magnitude suppression of the ionization rate for Ne. The results depend sensitively on a precise knowledge of the interaction potentials, however, pointing out the need for experimental input. The same model gives a suppression ratio close to unity for metastable xenon in accordance with experimental results, due to a much increased anisotropy in this case.Comment: 15 pages including figures, LaTex/RevTex, uses epsfig.st

The Numerical Renormalization Group Method for correlated electrons

The Numerical Renormalization Group method (NRG) has been developed by Wilson in the 1970's to investigate the Kondo problem. The NRG allows the non-perturbative calculation of static and dynamic properties for a variety of impurity models. In addition, this method has been recently generalized to lattice models within the Dynamical Mean Field Theory. This paper gives a brief historical overview of the development of the NRG and discusses its application to the Hubbard model; in particular the results for the Mott metal-insulator transition at low temperatures.Comment: 14 pages, 7 eps-figures include

Transport regimes of cold gases in a two-dimensional anisotropic disorder

We numerically study the dynamics of cold atoms in a two-dimensional disordered potential. We consider an anisotropic speckle potential and focus on the classical regime, which is relevant to some recent experiments. First, we study the behavior of particles with a fixed energy and identify different transport regimes. For low energy, the particles are classically localized due to the absence of a percolating cluster. For high energy, the particles undergo normal diffusion and we show that the diffusion constants scale algebraically with the particle energy, with an anisotropy factor which significantly differs from that of the disordered potential. For intermediate energy, we find a transient sub-diffusive regime, which is relevant to the time scale of typical experiments. Second, we study the behavior of a cold-atomic gas with an arbitrary energy distribution, using the above results as a groundwork. We show that the density profile of the atomic cloud in the diffusion regime is strongly peaked and, in particular, that it is not Gaussian. Its behavior at large distances allows us to extract the energy-dependent diffusion constants from experimental density distributions. For a thermal cloud released into the disordered potential, we show that our numerical predictions are in agreement with experimental findings. Not only does this work give insights to recent experimental results, but it may also serve interpretation of future experiments searching for deviation from classical diffusion and traces of Anderson localization.Comment: 19 pages, 16 figure

All-sky convolution for polarimetry experiments

We discuss all-sky convolution of the instrument beam with the sky signal in polarimetry experiments, such as the Planck mission which will map the temperature anisotropy and polarization of the cosmic microwave background (CMB). To account properly for stray light (from e.g. the galaxy, sun, and planets) in the far side-lobes of such an experiment, it is necessary to perform the beam convolution over the full sky. We discuss this process in multipole space for an arbitrary beam response, fully including the effects of beam asymmetry and cross-polarization. The form of the convolution in multipole space is such that the Wandelt-Gorski fast technique for all-sky convolution of scalar signals (e.g. temperature) can be applied with little modification. We further show that for the special case of a pure co-polarized, axisymmetric beam the effect of the convolution can be described by spin-weighted window functions. In the limits of a small angle beam and large Legendre multipoles, the spin-weight 2 window function for the linear polarization reduces to the usual scalar window function used in previous analyses of beam effects in CMB polarimetry experiments. While we focus on the example of polarimetry experiments in the context of CMB studies, we emphasise that the formalism we develop is applicable to anisotropic filtering of arbitrary tensor fields on the sphere.Comment: 8 pages, 1 figure; Minor changes to match version accepted by Phys. Rev.

Correlated electrons in the presence of disorder

Several new aspects of the subtle interplay between electronic correlations and disorder are reviewed. First, the dynamical mean-field theory (DMFT)together with the geometrically averaged ("typical") local density of states is employed to compute the ground state phase diagram of the Anderson-Hubbard model at half-filling. This non-perturbative approach is sensitive to Anderson localization on the one-particle level and hence can detect correlated metallic, Mott insulating and Anderson insulating phases and can also describe the competition between Anderson localization and antiferromagnetism. Second, we investigate the effect of binary alloy disorder on ferromagnetism in materials with $f$-electrons described by the periodic Anderson model. A drastic enhancement of the Curie temperature $T_c$ caused by an increase of the local $f$-moments in the presence of disordered conduction electrons is discovered and explained.Comment: 17 pages, 7 figures, final version, typos corrected, references updated, submitted to Eur. Phys. J. for publication in the Special Topics volume "Cooperative Phenomena in Solids: Metal-Insulator Transitions and Ordering of Microscopic Degrees of Freedom