1,849 research outputs found

    Structural, magnetic, electric, dielectric, and thermodynamic properties of multiferroic GeV4S8

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    The lacunar spinel GeV4S8 undergoes orbital and ferroelectric ordering at the Jahn-Teller transition around 30 K and exhibits antiferromagnetic order below about 14 K. In addition to this orbitally driven ferroelectricity, lacunar spinels are an interesting material class, as the vanadium ions form V4 clusters representing stable molecular entities with a common electron distribution and a well-defined level scheme of molecular states resulting in a unique spin state per V4 molecule. Here we report detailed x-ray, magnetic susceptibility, electrical resistivity, heat capacity, thermal expansion, and dielectric results to characterize the structural, electric, dielectric, magnetic, and thermodynamic properties of this interesting material, which also exhibits strong electronic correlations. From the magnetic susceptibility, we determine a negative Curie-Weiss temperature, indicative for antiferromagnetic exchange and a paramagnetic moment close to a spin S = 1 of the V4 molecular clusters. The low-temperature heat capacity provides experimental evidence for gapped magnon excitations. From the entropy release, we conclude about strong correlations between magnetic order and lattice distortions. In addition, the observed anomalies at the phase transitions also indicate strong coupling between structural and electronic degrees of freedom. Utilizing dielectric spectroscopy, we find the onset of significant dispersion effects at the polar Jahn-Teller transition. The dispersion becomes fully suppressed again with the onset of spin order. In addition, the temperature dependencies of dielectric constant and specific heat possibly indicate a sequential appearance of orbital and polar order.Comment: 15 pages, 9 figure

    Structural classification by the Lipase Engineering Database: a case study of Candida antarctica lipase A

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    <p>Abstract</p> <p>Background</p> <p>The Lipase Engineering Database (LED) integrates information on sequence, structure and function of lipases, esterases and related proteins with the α/β hydrolase fold. A new superfamily for <it>Candida antarctica </it>lipase A (CALA) was introduced including the recently published crystal structure of CALA. Since CALA has a highly divergent sequence in comparison to other α/β hydrolases, the Lipase Engineering Database was used to classify CALA in the frame of the already established classification system. This involved the comparison of CALA to similar structures as well as sequence-based comparisons against the content of the LED.</p> <p>Results</p> <p>The new release 3.0 (December 2009) of the Lipase Engineering Database contains 24783 sequence entries for 18585 proteins as well as 656 experimentally determined protein structures, including the structure of CALA. In comparison to the previous release <abbrgrp><abbr bid="B1">1</abbr></abbrgrp> with 4322 protein and 167 structure entries this update represents a significant increase in data volume. By comparing CALA to representative structures from all superfamilies, a structure from the deacetylase superfamily was found to be most similar to the structure of CALA. While the α/β hydrolase fold is conserved in both proteins, the major difference is found in the cap region. Sequence alignments between both proteins show a sequence similarity of only 15%. A multisequence alignment of both protein families was used to create hidden Markov models for the cap region of CALA and showed that the cap region of CALA is unique among all other proteins of the α/β hydrolase fold. By specifically comparing the substrate binding pocket of CALA to other binding pockets of α/β hydrolases, the binding pocket of <it>Candida rugosa </it>lipase was identified as being highly similar. This similarity also applied to the lid of <it>Candida rugosa </it>lipase in comparison to the potential lid of CALA.</p> <p>Conclusion</p> <p>The LED serves as a valuable tool for the systematic analysis of single proteins or protein families. The updated release 3.0 was used for the evaluation of α/β hydrolases. The HTML version of the database with new features is available at <url>http://www.led.uni-stuttgart.de</url> and provides sequences, structures and a set of analysis tools including phylogenetic trees and HMM profiles</p

    Perspectives of Nuclear Physics in Europe: NuPECC Long Range Plan 2010

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    The goal of this European Science Foundation Forward Look into the future of Nuclear Physics is to bring together the entire Nuclear Physics community in Europe to formulate a coherent plan of the best way to develop the field in the coming decade and beyond.&lt;p&gt;&lt;/p&gt; The primary aim of Nuclear Physics is to understand the origin, evolution, structure and phases of strongly interacting matter, which constitutes nearly 100% of the visible matter in the universe. This is an immensely important and challenging task that requires the concerted effort of scientists working in both theory and experiment, funding agencies, politicians and the public.&lt;p&gt;&lt;/p&gt; Nuclear Physics projects are often “big science”, which implies large investments and long lead times. They need careful forward planning and strong support from policy makers. This Forward Look provides an excellent tool to achieve this. It represents the outcome of detailed scrutiny by Europe’s leading experts and will help focus the views of the scientific community on the most promising directions in the field and create the basis for funding agencies to provide adequate support.&lt;p&gt;&lt;/p&gt; The current NuPECC Long Range Plan 2010 “Perspectives of Nuclear Physics in Europe” resulted from consultation with close to 6 000 scientists and engineers over a period of approximately one year. Its detailed recommendations are presented on the following pages. For the interested public, a short summary brochure has been produced to accompany the Forward Look.&lt;p&gt;&lt;/p&gt

    Caspase-3 and RasGAP: a stress-sensing survival/demise switch.

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    The final decision on cell fate, survival versus cell death, relies on complex and tightly regulated checkpoint mechanisms. The caspase-3 protease is a predominant player in the execution of apoptosis. However, recent progress has shown that this protease paradoxically can also protect cells from death. Here, we discuss the underappreciated, protective, and prosurvival role of caspase-3 and detail the evidence showing that caspase-3, through differential processing of p120 Ras GTPase-activating protein (RasGAP), can modulate a given set of proteins to generate, depending on the intensity of the input signals, opposite outcomes (survival vs death)

    Polar and magnetic order in GaV4Se8

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    In the present work, we provide results from specific heat, magnetic susceptibility, dielectric constant, ac conductivity, and electrical polarization measurements performed on the lacunar spinel GaV4Se8. With decreasing temperature, we observe a transition from the paraelectric and paramagnetic cubic state into a polar, probably ferroelectric state at 42 K followed by magnetic ordering at 18 K. The polar transition is likely driven by the Jahn-Teller effect due to the degeneracy of the V4 cluster orbitals. The excess polarization arising in the magnetic phase indicates considerable magnetoelectric coupling. Overall, the behavior of GaV4Se8 in many respects is similar to that of the skyrmion host GaV4S8, exhibiting a complex interplay of orbital, spin, lattice, and polar degrees of freedom. However, its dielectric behavior at the polar transition markedly differs from that of the Jahn-Teller driven ferroelectric GeV4S8, which can be ascribed to the dissimilar electronic structure of the Ge compound.Comment: 7 pages, 6 figures. Revised version according to suggestions of referee

    Fast and Scalable Score-Based Kernel Calibration Tests

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    We introduce the Kernel Calibration Conditional Stein Discrepancy test (KCCSD test), a nonparametric, kernel-based test for assessing the calibration of probabilistic models with well-defined scores. In contrast to previous methods, our test avoids the need for possibly expensive expectation approximations while providing control over its type-I error. We achieve these improvements by using a new family of kernels for score-based probabilities that can be estimated without probability density samples, and by using a conditional goodness-of-fit criterion for the KCCSD test's U-statistic. We demonstrate the properties of our test on various synthetic settings

    Anharmonicity and asymmetry of Landau levels for a two-dimensional electron gas

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    We calculate the density of states of a two dimensional electron gas located at the interface of a GaAlAs/GaAs heterojunction. The disorder potential which is generally created by a single doping layer behind a spacer, is here enhanced by the presence of a second delta doped layer of scatterers which can be repulsive or attractive impurities. We have calculated the density of states by means of the Klauder's approximation, in the presence of a magnetic field of arbitrary strength. At low field either band tails or impurity bands are observed for attractive potentials, depending on the impurity concentration. At higher field, impurity bands are observed for both repulsive and attractive potentials. We discuss the effect of such an asymmetrical density of states on the transport properties in the quantum Hall effect regime.Comment: 22 pages, 12 figures. submitted to Phys. Rev.
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