NiS - An unusual self-doped, nearly compensated antiferromagnetic metal

NiS, exhibiting a text-book example of a first-order transition with many unusual properties at low temperatures, has been variously described in terms of conflicting descriptions of its ground state during the past several decades. We calculate these physical properties within first-principle approaches based on the density functional theory and conclusively establish that all experimental data can be understood in terms of a rather unusual ground state of NiS that is best described as a self-doped, nearly compensated, antiferromagnetic metal, resolving the age-old controversy. We trace the origin of this novel ground state to the specific details of the crystal structure, band dispersions and a sizable Coulomb interaction strength that is still sub-critical to drive the system in to an insulating state. We also show how the specific antiferromagnetic structure is a consequence of the less-discussed 90 degrees and less than 90 degrees superexchange interactions built in to such crystal structures.

Doping a Correlated Band Insulator: A New Route to Half-Metallic Behavior

We demonstrate in a simple model the surprising result that turning on an on-site Coulomb interaction U in a doped band insulator leads to the formation of a half-metallic state. In the undoped system, we show that increasing U leads to a first order transition at a finite value U-AF between a paramagnetic band insulator and an antiferomagnetic Mott insulator. Upon doping, the system exhibits half-metallic ferrimagnetism over a wide range of doping and interaction strengths on either side of U-AF. Our results, based on dynamical mean field theory, suggest a new route to half metallicity, and will hopefully motivate searches for new materials for spintronics.

Growing Length Scales and Their Relation to Timescales in Glass-Forming Liquids

The question of whether the dramatic slowing down of the dynamics of glass-forming liquids near the structural glass transition is caused by the growth of one or more correlation lengths has received much attention in recent years. Several proposals have been made for both static and dynamic length scales that may be responsible for the growth of timescales as the glass transition is approached. These proposals are critically examined with emphasis on the dynamic length scale associated with spatial heterogeneity of local dynamics and the static point-to-set or mosaic length scale of the random first order transition theory of equilibrium glass transition. Available results for these length scales, obtained mostly from simulations, are summarized, and the relation of the growth of timescales near the glass transition with the growth of these length scales is examined. Some of the outstanding questions about length scales in glass-forming liquids are discussed, and studies in which these questions may be addressed are suggested.

Magnetism and superconductivity in Sb-doped binary and ternary iron chalcogenide single crystals

We report the single crystal growth of antimony doped Fe1+yTe and Fe1+yTe0.5Se0.5 (Fe1+ySbxTe1-x (x=0, 2%, 5%) and Fe1+yTe0.49Se0.49Sb0.02) by a modified horizontal Bridgman method. Growth parameters are optimized to obtain high quality single crystals. The antiferromagnetic (AFM) transition at T-N = 62.2 K which is a first order transition, shifts to lower temperature on doping in Fe1+yTe. Alternately when the chalcogen site of the ternary compound Fe1+yTe0.5Se0.5 is doped with Sb, superconductivity is preserved albeit the superconducting transition temperature (T-C) falls slightly and a concomitant reduction occurs in superconducting volume fraction. (C) 2013 Elsevier B.V. All rights reserved,

Phase diagram of the half-filled ionic Hubbard model

We study the phase diagram of the ionic Hubbard model (IHM) at half filling on a Bethe lattice of infinite connectivity using dynamical mean-field theory (DMFT), with two impurity solvers, namely, iterated perturbation theory (IPT) and continuous time quantum Monte Carlo (CTQMC). The physics of the IHM is governed by the competition between the staggered ionic potential Delta and the on-site Hubbard U. We find that for a finite Delta and at zero temperature, long-range antiferromagnetic (AFM) order sets in beyond a threshold U = U-AF via a first-order phase transition. For U smaller than U-AF the system is a correlated band insulator. Both methods show a clear evidence for a quantum transition to a half-metal (HM) phase just after the AFM order is turned on, followed by the formation of an AFM insulator on further increasing U. We show that the results obtained within both methods have good qualitative and quantitative consistency in the intermediate-to-strong-coupling regime at zero temperature as well as at finite temperature. On increasing the temperature, the AFM order is lost via a first-order phase transition at a transition temperature T-AF(U,Delta) or, equivalently, on decreasing U below U-AF(T,Delta)], within both methods, for weak to intermediate values of U/t. In the strongly correlated regime, where the effective low-energy Hamiltonian is the Heisenberg model, IPT is unable to capture the thermal (Neel) transition from the AFM phase to the paramagnetic phase, but the CTQMC does. At a finite temperature T, DMFT + CTQMC shows a second phase transition (not seen within DMFT + IPT) on increasing U beyond U-AF. At U-N > U-AF, when the Neel temperature T-N for the effective Heisenberg model becomes lower than T, the AFM order is lost via a second-order transition. For U >> Delta, T-N similar to t(2)/U(1 - x(2)), where x = 2 Delta/U and thus T-N increases with increase in Delta/U. In the three-dimensional parameter space of (U/t, T/t, and Delta/t), as T increases, the surface of first-order transition at U-AF(T,Delta) and that of the second-order transition at U-N(T,Delta) approach each other, shrinking the range over which the AFM order is stable. There is a line of tricritical points that separates the surfaces of first- and second-order phase transitions.

Length scales in glass-forming liquids and related systems: a review

The central problem in the study of glass-forming liquids and other glassy systems is the understanding of the complex structural relaxation and rapid growth of relaxation times seen on approaching the glass transition. A central conceptual question is whether one can identify one or more growing length scale(s) associated with this behavior. Given the diversity of molecular glass-formers and a vast body of experimental, computational and theoretical work addressing glassy behavior, a number of ideas and observations pertaining to growing length scales have been presented over the past few decades, but there is as yet no consensus view on this question. In this review, we will summarize the salient results and the state of our understanding of length scales associated with dynamical slow down. After a review of slow dynamics and the glass transition, pertinent theories of the glass transition will be summarized and a survey of ideas relating to length scales in glassy systems will be presented. A number of studies have focused on the emergence of preferred packing arrangements and discussed their role in glassy dynamics. More recently, a central object of attention has been the study of spatially correlated, heterogeneous dynamics and the associated length scale, studied in computer simulations and theoretical analysis such as inhomogeneous mode coupling theory. A number of static length scales have been proposed and studied recently, such as the mosaic length scale discussed in the random first-order transition theory and the related point-to-set correlation length. We will discuss these, elaborating on key results, along with a critical appraisal of the state of the art. Finally we will discuss length scales in driven soft matter, granular fluids and amorphous solids, and give a brief description of length scales in aging systems. Possible relations of these length scales with those in glass-forming liquids will be discussed.

Structure and Dynamics of Octamethylcyclotetrasiloxane Confined between Mica Surfaces

Using a molecular model for octamethylcydotetrasiloxane (OMCTS), molecular dynamics simulations are carried out to probe the phase state of OMCTS confined between two mica surfaces in equilibrium With a reservoir. Molecular dynamics simulations are carried out for elevations ranging from 5 to 35 K above the melting point for the OMCTS model used in this study. The Helmholtz free energy is, computed for a specific confinement using the :two-phase thermodynamic (2PT) method. Analysis of the in-plane pair correlation functions did not reveal signatures of freezing even under an extreme confinement of two layers. OMCTS is found to orient with a wide distribution of orientations with respect to the mica surface, with a distinct preference for the surface parallel configuration in the contact layers. The self-intermediate scattering function is found to decay with increasing relaxation times as the surface separation is decreased, and the two-step relaxation in the scattering function, a signature of glassy dynamics, distinctly evolves as the temperature is lowered. However, even at 5 K above the melting point, we did not observe a freezing transition and the self-intermediate scattering functions relax within 200 ps for the seven-layered confined system. The self diffusivity and relaxation times obtained from the Kohlrausch-Williams-Watts stretched exponential fits to the late alpha-relaxation exhibit power law scalings with the packing fraction as predicted by mode coupling theory. A distinct discontinuity in the Helmholtz free energy, potential energy, and a sharp change in the local bond order parameter, Q(4), was observed at 230 K for a five-layered system upon cooling, indicative of a first-order transition. A freezing point depression of about 30 K was observed for this five-layered confined system, and at the lower temperatures, contact layers were found to be disordered with long-range order present only in the inner layers. These dynamical signatures indicate that confined OMCTS undergoes a slowdown akin to a fluid approaching a glass transition upon increasing confinement, and freezing under confinement would require substantial subcooling below the bulk melting point of OMCTS.

Abordaje metodológico de la marginalidad urbana en el barrio San Francisquito de la ciudad de Rosario

Resumen: La ciudad de Rosario es la segunda área metropolitana del país que registra una incidencia relevante de asentamientos y población residente en los mismos. La mayoría de los asentamientos se ubica sobre viejos trazos de vías del ferrocarril, pero también los hay sobre las vías en uso y otros terrenos fiscales y privados. Los mismos ocupan el 2% de la superficie de la ciudad y el 15% de sus habitantes. Este estudio se realiza en el barrio San Francisquito, comprendido entre las calles Francia, Avellaneda, Ocampo y Seguí. El objetivo del mismo, es describir las estrategias metodológicas desarrolladas, durante este primer año, en el marco de la investigación. Los materiales y métodos utilizados están descriptos por etapas, en la primera se determinó la muestra de hogares, en la segunda se explica los ajustes al formulario de la encuesta de condiciones de vida y la tercera etapa desarrolla la estrategia de capacitación para el trabajo de campo. La muestra, distribuida por sector y radio; la adaptación de los formularios y los talleres de capacitación son los resultados alcanzados. Considerándose estratégico el fortalecimiento de las capacidades locales para la sustentabilidad del proyecto.

Legislação simbólica e poder de apreciação conclusiva no Congresso Nacional

Busca consolidar e aprofundar os estudos já realizados relativos à produção legislativa decorrente do poder conclusivo com a finalidade de verificar a efetividade desse instituto, além de averiguar o almejado fortalecimento do papel das comissões na produção legislativa federal. Para tanto, analisa as proposições que se transformaram em norma jurídica nas legislaturas posteriores à promulgação da Constituição de 1988 até o primeiro ano da 53ª Legislatura (2007). Analisa, também, qualitativamente, a produção legislativa nesse período, utilizando a teoria alemã de legislação simbólica, de acordo com a tipologia de Harald Kindermann.

Hydrographic observations in Elkhorn Slough and Moss Landing Harbor, California, October 1970 to November 1971. Annual report, Part 3, July 1972

In October 1970, Moss Landing Marine Laboratories began an observational program to determine/the seasonal changes in the water chemistry of Elkhorn Slough and Moss Landing Harbor. This data report contains the first year of data (October 1970 - November 1971). These data are of immediate interest in determining the flushing and mixing mechanisms of the slough and in establishing the effect that local domestic and industrial effluents have on the distribution of these chemical parameters. (Document contains 78 Pages)

O parlamento brasileiro : processo, produção e organização legislativa : o papel das comissões em perspectiva comparada

Analisa a produção legislativa das Comissões no Parlamento brasileiro, em contraposição ao Plenário, considerando as matérias aprovadas e rejeitadas, como também o processo e a organização legislativa. Objetiva complementar o estudo da produção legislativa de Plenário, mais tratada pela literatura, com a produção legislativa das Comissões. Para tornar possível a pesquisa, construiu-se um Banco de Dados de Produção Legislativa, em que foram examinados os projetos de lei ordinária apresentados na 1ª Sessão Legislativa da 50ª Legislatura (1995/1999), correspondente ao primeiro ano do Governo Fernando Henrique Cardoso. Compara a organização e o processo de formação das leis do Parlamento brasileiro com o Parlamento norte-americano. Apresenta os resultados da análise da produção legislativa das Comissões e do Plenário no período examinado. O trabalho mostra que nesse período houve significativa produção nas Comissões, especialmente de autoria do próprio Poder Legislativo.

O processo decisório legislativo na criação e reforma do Bacen e do CMN em 1964 e 1994 : incerteza, cooperação e resultados legislativos

Analisa o processo decisório legislativo nos casos da criação e reforma do Bacen e do CMN em 1964 e 1994, ocorridos no âmbito de planos exitosos de combate à inflação (PAEG e Plano Real, respectivamente). A definição de um formato institucional para a autoridade monetária é uma escolha dos legisladores em termos da produção da política pública de responsabilidade daqueles órgãos, que em ambos os casos foi importante na busca da estabilidade de preços. A partir da Teoria Política Formal utilizaram-se dados primários e fontes secundárias para construir modelo e hipóteses que consideraram as dimensões de interesse geral (combate à inflação) e de políticas particularistas/distributivistas (crédito rural e representação privada no CMN). Concluiu-se que em ambos os processos a iniciativa do Poder Executivo foi fundamental para o resultado final, contudo, em ambas as situações, mesmo durante o ano de 1964 (período militar), o Legislativo teve papel relevante na definição do formato final de ambas as decisões. No primeiro caso houve uma barganha entre os Poderes Executivo e Legislativo para aprovação da proposta, que envolveu concessões no sentido de garantir representação privada no CMN e a institucionalização do crédito rural. No segundo caso o uso da Medida Provisória caracterizou uma forma diferente de coordenação entre os poderes, em que a MP atuou para diminuir a incerteza em relação aos resultados do plano e às alterações na composição do CMN e assim permitir a aprovação da matéria. Os resultados da tese, favorecidos pela comparação de dois períodos diversos do sistema político brasileiro, colaboram com a análise das relações Executivo-Legislativo, sobretudo ao valorizar os instrumentos legislativos do Presidente da República e a forma de equacionamento da incerteza nos processos decisórios. Ainda, permite-se um maior conhecimento da realidade legislativa durante o ano de 1964, quando, ao menos para a Reforma Bancária, não se pode falar de solapamento dos poderes e prerrogativas do Congresso Nacional pelo governo militar.

A Baseline Study of the Moss Landing/Elkhorn Slough Environment

In July, 1974 we began a baseline study of the Moss Landing-Elkhorn Slough marine environment for PG&E as mandated by the Coastal Commission. This report constitutes results of the first year's program. It is divided into three sections, oceanography, benthic invertebrate ecology, and fish and zooplankton ecology. (PDF contains 226 pages)

The Distribution of Kemp's Ridley Sea Turtles (Lepidochelys kempi) Along the Texas Coast: An Atlas

Eight hundred sixty-five records of Kemp's ridley sea turtles (Lepidochelys kempi) reported from Texas between the late 1940's to April 1990 were compiled from six data bases and the literature, then plotted on a series of Texas maps. Four categories of Kemp's ridleys are identified throughout the atlas: head-started (turtles that are raised in captivity their first year of life), wild, historical (pre-1980), and nesters. Geographic, seasonal, and size distributions of the turtle categories are plotted by regions. Most Kemp's ridleys were reported from the northeast and central Texas coast. They were reported from both inshore (landward of barrier islands) and offshore (seaward of barrier islands). Scattered nestings occurred in the central to southern regions. Kemp's ridleys were found more often during the spring and summer. A total of 546 turtle records contained measurements; most were 20-59.9 cm curved carapace length and considered sub-adults. Comparison of distributions of head-started and wild Kemp's ridleys suggests head-started Kemp's ridleys inhabit the same areas as wild Kemp's ridleys. (PDF file contains 56 pages.)

Population dynamics of the anchoveta, Cetengraulis mysticetus, in the Gulf of Panama, as determined by tagging experiments

ENGLISH: The anchoveta is the major constituent of the important bait and reduction fisheries of the Gulf of Panama. It is a short-lived species, the great majority of the catch consisting of fish in their first year of life. Fish for reduction are caught chiefly in the Isla Verde area, between Punta Chame and the entrance of the Panama Canal. In 1960 and 1961 anchovetas were tagged with metal internal tags and released in the major areas of occurrence of this species. The tags were recovered from the meal in the reduction plants with magnets. From the 53,380 fish tagged in 1960, 745 tags were returned during the 1960 season, 246 during the 1961 season, and 8 during the 1962 season. From the 113,202 tagged in 1961, 373 tags were returned during the 1961 season and 48 during the 1962 season. Complete catch statistics are available, and length-frequency and length-weight data were used to convert these from pounds to numbers of fish of each year class. The annual survival rate for the fish of the 1959 year class in the Isla Verde area was estimated to be 0.086 by the Chapman-Robson method, 0.102 by the year-class method, and 0.088 by the Jackson positive method. The first method is considered to give the best estimate. Six estimates of the population of fish of the 1959 year class in the Isla Verde area were obtained from the sample tag ratios of six experiments conducted in that area in 1960. The estimates differed due to the temporal decrease in the population, but the downward trend corresponded fairly well to what was expected from the total annual mortality rate. It was estimated that the population of 1959-year class fish was about 818 million on March 8, 1960, and about 70 million on March 8, 1961. As the population of anchovetas decreases during the season the effort increases sufficiently that the catch remains roughly constant. This is described as the "constant absolute catch" type fishery. Of the original population of fish in the Isla Verde area at the beginning of the 1960 season, about 11 per cent were caught and 81 per cent died of natural causes. Evaluation of growth and mortality data demonstrated that beginning the fishery for the youngest age group later than March 8 (the date it began in 1960) would reduce the yield per recruit, while increasing the fishing effort would greatly increase it. Further, it is believed unlikely that increases in the catch in the Isla Verde area alone would noticeably decrease the number of recruits to that area. Therefore there is no foreseeable need for regulation of the fishery. SPANISH: El principal constituyente de la importante pesquería para carnada y para reducción en el Golfo de Panamá es la anchoveta. Es una especie de vida corta cuya pesca, en su mayor parte, está constituida por peces que se encuentran en su primer año de vida. Para la industria de reducción los peces son capturados principalmente en el área de Isla Verde, entre Punta Chame y la entrada del Canal de Panamá. En 1960 y 1961 las anchovetas fueron marcadas con marcas metálicas internas y liberadas en las áreas más importantes en que se encuentra esta especie. Las marcas fueron recobradas de la harina en las plantas de reducción por medio de magnetos. De los 53,380 peces marcados en 1960, fueron devueltas 745 marcas durante la temporada pesquera de 1960, 246 durante la de 1961, y 8 durante la de 1962. De los 113,202 marcados en 1961, 373 marcas fueron devueltas durante la temporada pesquera de 1961 y 48 durante la de 1962. Se dispone de estadísticas completas de captura, y los datos de frecuencia-longitud y de longitud-peso fueron usados para convertir éstos de libras a números de peces de cada clase anual. La tasa anual de supervivencia correspondiente a la clase anual de 1959 en el área de Isla Verde estimó en 0.086 por medio del método Chapman-Robson; en 0.102 por método de la clase anual; y en 0.088 por el método positivo de Jackson. Se considera que el primer método dé la mejor estimación. Seis estimaciones de la población de peces de la clase anual 1959 en el área de Isla Verde fueron obtenidas según la proporción de marcas halladas en las muestras correspondientes a seis experimentos efectuados en aquella área en 1960. Las estimaciones variaron debido a la disminución temporal de la población, pero esta tendencia descendente correspondió bastante bien a lo que se esperaba según la tasa total de mortalidad anual. Se estimó que la población de peces de la clase anual de 1959 era de unos 818 millones el 8 de marzo de 1960, y aproximadamente de unos 70 millones el 8 de marzo de 1961. Conforme a que la población de anchovetas disminuye durante la temporada pesquera, el esfuerzo aumenta lo suficientemente como para que la pesca se mantenga más o menos constante. Este es el tipo de pesquería descrito como de "captura absoluta constante". De la población original de peces en el área de Isla Verde al comienzo de la temporada pesquera de 1960, cerca del 11 por ciento fue capturada y el 81 por ciento murió por causas naturales. La evaluación de los datos del crecimiento mortalidad demostraron que al comenzar la pesquería a explotar grupo de edad más joven en una fecha posterior al 8 de marzo (la fecha en que comenzó en 1960) se reduciría el rendimiento por recluta, mientras que al aumentar el esfuerzo de pesca lo aumentaría considerablemente. Más aún, se cree improbable que el aumento en la pesca en el área de Isla Verde de por sí disminuyera perceptiblemente el número de reclutas en esa área. En consecuencia no se prevé la necesidad de una reglamentación de la pesquería. (PDF contains 172 pages.)