Microscopic model of (CuCl)LaNb2O7: coupled spin dimers replace a frustrated square lattice

We present a microscopic model of the spin-gap quantum magnet (CuCl)LaNb2O7 that was previously suggested as a realization of the spin-1/2 frustrated square lattice. Taking advantage of the precise atomic positions from recent crystal structure refinement, we evaluate individual exchange integrals and construct a minimum model that naturally explains all the available experimental data. Surprisingly, the deviation from tetragonal symmetry leads to the formation of spin dimers between fourth neighbors due to a Cu-Cl-Cl-Cu pathway with a leading antiferromagnetic exchange J4 ~ 25 K. The total interdimer exchange amounts to 12 - 15 K. Our model is in agreement with inelastic neutron scattering results and is further confirmed by quantum Monte-Carlo simulations of the magnetic susceptibility and the high-field magnetization. Our results establish (CuCl)LaNb2O7 as a non-frustrated system of coupled spin dimers with predominant antiferromagnetic interactions and provide a general perspective for related materials with unusual low-temperature magnetic properties.Comment: 4 pages, 4 figures, 1 table + supplementar

The Effect of Ru substitution for Ni on the superconductivity in MgCNi3-xRux

The superconductor MgCNi3 has been chemically doped by partial substitution of Ru for Ni in the solid solution MgCNi3-xRux for 0<x<0.5. Magnetic and specific heat measurements show that the Sommerfeld parameter (gamma_exp) and TC decrease immediately on Ru substitution, but that a TC above 2K is maintained even for a relatively large decrease in gamma_exp. Ferromagnetism is not observed to develop through Ru substitution, and the normal state magnetic susceptibility is suppressed.Comment: 18 pages, 13 figure

Model of Transcriptional Activation by MarA in Escherichia coli

We have developed a mathematical model of transcriptional activation by MarA in Escherichia coli, and used the model to analyze measurements of MarA-dependent activity of the marRAB, sodA, and micF promoters in mar-rob- cells. The model rationalizes an unexpected poor correlation between the mid-point of in vivo promoter activity profiles and in vitro equilibrium constants for MarA binding to promoter sequences. Analysis of the promoter activity data using the model yielded the following predictions regarding activation mechanisms: (1) MarA activation of the marRAB, sodA, and micF promoters involves a net acceleration of the kinetics of transitions after RNA polymerase binding, up to and including promoter escape and message elongation; (2) RNA polymerase binds to these promoters with nearly unit occupancy in the absence of MarA, making recruitment of polymerase an insignificant factor in activation of these promoters; and (3) instead of recruitment, activation of the micF promoter might involve a repulsion of polymerase combined with a large acceleration of the kinetics of polymerase activity. These predictions are consistent with published chromatin immunoprecipitation assays of interactions between polymerase and the E. coli chromosome. A lack of recruitment in transcriptional activation represents an exception to the textbook description of activation of bacterial sigma-70 promoters. However, use of accelerated polymerase kinetics instead of recruitment might confer a competitive advantage to E. coli by decreasing latency in gene regulation.Comment: 30 pages, 2 figure

Differential cross section analysis in kaon photoproduction using associated legendre polynomials

Angular distributions of differential cross sections from the latest CLAS data sets \cite{bradford}, for the reaction ${\gamma}+p {\to} K^{+} + {\Lambda}$ have been analyzed using associated Legendre polynomials. This analysis is based upon theoretical calculations in Ref. \cite{fasano} where all sixteen observables in kaon photoproduction can be classified into four Legendre classes. Each observable can be described by an expansion of associated Legendre polynomial functions. One of the questions to be addressed is how many associated Legendre polynomials are required to describe the data. In this preliminary analysis, we used data models with different numbers of associated Legendre polynomials. We then compared these models by calculating posterior probabilities of the models. We found that the CLAS data set needs no more than four associated Legendre polynomials to describe the differential cross section data. In addition, we also show the extracted coefficients of the best model.Comment: Talk given at APFB08, Depok, Indonesia, August, 19-23, 200

Consumption, silicosis, and the social construction of industrial disease.

In the wake of the bacterial revolution after Robert Koch identified the tuberculosis bacillus, medical and public health professionals classified the various forms of consumption and phthisis as a single disease--tuberculosis. In large measure, historians have adopted that perspective. While there is undoubtedly a great deal of truth in this conceptualization, we argue that it obscures almost as much as it illuminates. By collapsing the nineteenth-century terms phthisis and consumption into tuberculosis, we maintain that historians have not understood the effect of non-bacterial consumption on working-class populations who suffered from the symptoms of coughing, wasting away, and losing weight. In this essay, we explore how, in the nineteenth century, what we now recognize as silicosis was referred to as miners' "con," stonecutters' phthisis, and other industry-specific forms of phthisis and consumption. We examine how the later and narrower view of the bacterial origins of tuberculosis limited the medical professions' ability to diagnose and understand diseases caused by industrial dust. This paper explores the contention that developed at the turn of the century over occupational lung disease and tuberculosis and the circumstances that led to the unmasking of silicosis as a disease category

Theoretical search for superconductivity in Sc3XB perovskites and weak ferromagnetism in Sc3X (X = Tl, In, Ga, Al)

A possibility for a new family of intermetallic perovskite superconductors Sc3XB, with X = Tl, In, Ga and Al, is presented as a result of KKR electronic structure and pseudopotential phonon calculations. The large values of computed McMillan--Hopfield parameters on scandium suggest appearance of superconductivity in Sc3XB compounds. On the other hand, the possibility of weak itinerant ferromagnetic behavior of Sc3X systems is indicated by the small magnetic moment on Sc atoms in two cases of X =~ l and In. Also the electronic structure and resulting superconducting parameters for more realistic case of boron--deficient systems Sc3XB_x are computed using KKR--CPA method, by replacing boron atom with a vacancy. The comparison of the calculated McMillan--Hopfield parameters of the Sc3XB series with corresponding values in MgCNi3 and YRh3B superconductors is given, finding the favorable trends for superconductivity.Comment: 13 pages, 13 figures. v3 - revise

Role of C in MgC_xNi_3 investigated from first principles

The influence of vacancies in the $C$ sub-lattice of $MgCNi_{3}$, on its structural, electronic and magnetic properties are studied by means of the density-functional based Korringa-Kohn-Rostoker Green's function method formulated in the atomic sphere approximation. Disorder is taken into account by means of coherent-potential approximation. Characterizations representing the change in the lattice properties include the variation in the equilibrium lattice constants, bulk modulus and pressure derivative of the bulk modulus, and that of electronic structure include the changes in the, total, partial and $\mathbf{k}$-resolved density of states. The incipient magnetic properties are studied by means of fixed-spin moment method of alloy theory, together in conjunction with the phenomenological Ginzburg-Landau equation for magnetic phase transition. The first-principles calculations reveal that due to the breaking of the $C$-$Ni$ bonds, some of the $Ni$ 3d states, which were lowered in energy due to strong hybridization, are transfered back to higher energies thereby increasing the itinerant character in the material. The Bloch spectral densities evaluated at the high symmetry points however reveal that the charge redistribution is not uniform over the cubic Brillouin zone, as new states are seen to be created at the $\Gamma$ point, while a shift in the states on the energy scale are seen at other high symmetry points

The role of carbon for superconductivity in MgCx_{x}Ni3_{3} from specific heat

The influence of carbon deficiency on superconductivity of MgCNi$_{3}$ is investigated by specific heat measurements in the normal and superconducting state. In order to perform a detailed analysis of the normal state specific heat, a computer code is developed which allows for an instantaneous estimate of the main features of the lattice dynamics. By analyzing the evolution of the lattice vibrations within the series and simultaneously considering the visible mass enhancement, the loss in the electron-phonon coupling can be attributed to significant changes of the prominent Ni vibrations. The present data well supports the recently established picture of strong electron-phonon coupling and ferromagnetic spin fluctuations in this compound.Comment: 4 pages, latex, corrections to the text, one reference added, one figure correcte

Magnetic pyroxenes LiCrGe2O6 and LiCrSi2O6: dimensionality crossover in a non-frustrated S=3/2 Heisenberg model

The magnetism of magnetoelectric $S$ = 3/2 pyroxenes LiCrSi$_2$O$_6$ and LiCrGe$_2$O$_6$ is studied by density functional theory (DFT) calculations, quantum Monte Carlo (QMC) simulations, neutron diffraction, as well as low-field and high-field magnetization measurements. In contrast with earlier reports, we find that the two compounds feature remarkably different, albeit non-frustrated magnetic models. In LiCrSi$_2$O$_6$, two relevant exchange integrals, $J_1 \simeq$ 9 K along the structural chains and $J_{\text{ic1}}$ $\simeq$ 2 K between the chains, form a 2D anisotropic honeycomb lattice. In contrast, the spin model of LiCrGe$_2$O$_6$ is constituted of three different exchange couplings. Surprisingly, the leading exchange $J_{\text{ic1}}$ $\simeq$ 2.3 K operates between the chains, while $J_1$ $\simeq$ 1.2 K is about two times smaller. The additional interlayer coupling $J_{\text{ic2}}$ $\simeq$ $J_1$ renders this model 3D. QMC simulations reveal excellent agreement between our magnetic models and the available experimental data. Underlying mechanisms of the exchange couplings, magnetostructural correlations, as well as implications for other pyroxene systems are discussed.Comment: 11 pages, 8 figures, 3 tables + Supplementary informatio