140 research outputs found
Surface resonance of the (2×1) reconstructed lanthanum hexaboride (001)-cleavage plane : a combined STM and DFT study
We performed a combined study of the (001)-cleavage plane of lanthanum hexaboride (LaB6) using scanning tunneling microscopy and density-functional theory (DFT). Experimentally, we found a (2×1) reconstructed surface on a local scale. The reconstruction is only short-range ordered and tends to order perpendicularly to step edges. At larger distances from surface steps, the reconstruction evolves to a labyrinthlike pattern. These findings are supported by low-energy electron diffraction experiments. Slab calculations within the framework of DFT show that the atomic structure consists of parallel lanthanum chains on top of boron octahedra. Scanning tunneling spectroscopy shows a prominent spectral feature at −0.6eV. Using DFT, we identify this structure as a surface resonance of the (2×1) reconstructed LaB6 (100) surface which is dominated by boron dangling bond states and lanthanum d states
[Rh<sub>2</sub>(MEPY)<sub>4</sub>] and [BiRh(MEPY)<sub>4</sub>]: Convenient Syntheses and Computational Analysis of Strikingly Dissimilar Siblings
[Rh2(MEPY)4] is a versatile catalyst for asymmetric synthesis but its preparation requires purification by chromatography on surface‐modified silica. A higher yielding procedure based on a more convenient work‐up is presented herein. Likewise, a much improved method for the preparation of [BiRh(OTfa)4] is described, which makes this heterobimetallic complex readily available. Subsequent exchange of the trifluoroacetate ligands opens access to a so far underappreciated family of (chiral) paddlewheel complexes. While [BiRh] complexes comprising four carboxylate ligands are highly adequate for intermolecular asymmetric cyclopropanation reactions, [BiRh(MEPY)4] as the heterobimetallic cousin of [Rh2(MEPY)4] was found to be surprisingly unreactive; DFT calculations uncover the reasons for this inertia
Spin-driven Phase Transitions in ZnCrSe and ZnCrS Probed by High Resolution Synchrotron X-ray and Neutron Powder Diffraction
The crystal and magnetic structures of the spinel compounds ZnCrS and
ZnCrSe were investigated by high resolution powder synchrotron and
neutron diffraction. ZnCrSe exhibits a first order phase transition at
K into an incommensurate helical magnetic structure. Magnetic
fluctuations above are coupled to the crystal lattice as manifested by
negative thermal expansion. Both, the complex magnetic structure and the
anomalous structural behavior can be related to magnetic frustration.
Application of an external magnetic field shifts the ordering temperature and
the regime of negative thermal expansion towards lower temperatures. Thereby,
the spin ordering changes into a conical structure. ZnCrS shows two
magnetic transitions at K and K that are accompanied by
structural phase transitions. The crystal structure transforms from the cubic
spinel-type (space group \={3}) at high temperatures in the paramagnetic
state, via a tetragonally distorted intermediate phase (space group /
) for into a low temperature orthorhombic phase
(space group ) for . The cooperative displacement of
sulfur ions by exchange striction is the origin of these structural phase
transitions. The low temperature structure of ZnCrS is identical to the
orthorhombic structure of magnetite below the Verwey transition. When applying
a magnetic field of 5 T the system shows an induced negative thermal expansion
in the intermediate magnetic phase as observed in ZnCrSe.Comment: 11 pages, 13 figures, to be published in PR
Surface resonance of the (21) reconstructed lanthanum hexaboride (001)-cleavage plane: a combined STM and DFT study
We performed a combined study of the (001)-cleavage plane of lanthanum
hexaboride (LaB) using scanning tunneling microscopy (STM) and
density functional theory (DFT). Experimentally, we found a (21)
reconstructed surface on a local scale. The reconstruction is only short-range
ordered and tends to order perpendicularly to step edges. At larger distances
from surface steps, the reconstruction evolves to a labyrinth-like pattern.
These findings are supported by low-energy electron diffraction (LEED)
experiments. Slab calculations within the framework of DFT shows that the
atomic structure consists of parallel lanthanum chains on top of boron
octahedra. Scanning tunneling spectroscopy (STS) shows a prominent spectral
feature at -0.6 eV. Using DFT, we identify this structure as a surface
resonance of the (21) reconstructed LaB (100)-surface which
is dominated by boron dangling bond-states and lanthanum d-states.Comment: 10 pages, 16 figure
The HERMES Back Drift Chambers
The tracking system of the HERMES spectrometer behind the bending magnet
consists of two pairs of large planar 6-plane drift chambers. The design and
performance of these chambers is described. This description comprises details
on the mechanical and electronical design, information about the gas mixture
used and its properties, results on alignment, calibration, resolution, and
efficiencies, and a discussion of the experience gained through the first three
years of operation.Comment: 21 pages, LaTex, 16 figures include
Performance studies of the Belle II Silicon Vertex Detector with data taken at the DESY test beam in April 2016
Belle II is a multipurpose detector currently under construction which will be operated at the next generation B-factory SuberKEKB in Japan. Its main devices for the vertex reconstruction are the Silicon Vertex Detector (SVD) and the Pixel Detector (PXD). In April 2016 a sector of the Belle II SVD and PXD have been tested in a beam of high energetic electrons at the test beam facility at DESY Hamburg (Germany). We report here the results for the hit efficiency estimation and the measurement of the resolution for the Belle II silicon vertex etector. We find that the hit efficiencies are on average above 99.5% and that the measured resolution is within the expectations
Performance studies of the Belle II Silicon Vertex Detector with data taken at the DESY test beam in April 2016
Belle II is a multipurpose detector currently under construction which will be operated at the next generation B-factory SuberKEKB in Japan. Its main devices for the vertex reconstruction are the Silicon Vertex Detector (SVD) and the Pixel Detector (PXD). In April 2016 a sector of the Belle II SVD and PXD have been tested in a beam of high energetic electrons at the test beam facility at DESY Hamburg (Germany). We report here the results for the hit efficiency estimation and the measurement of the resolution for the Belle II silicon vertex etector. We find that the hit efficiencies are on average above 99.5% and that the measured resolution is within the expectations
The Belle II SVD detector
The Silicon Vertex Detector (SVD) is one of the main detectors in the Belle II experiment at KEK, Japan. In combination with a pixel detector, the SVD determines precise decay vertex and low-momentum track reconstruction. The SVD ladders are being developed at several institutes. For the development of the tracking algorithm as well as the performance estimation of the ladders, beam tests for the ladders were performed. We report an overview of the SVD development, its performance measured in the beam test, and the prospect of its assembly and commissioning until installation
Dynamics of hydration water in deuterated purple membranes explored by neutron scattering
The function and dynamics of proteins depend on their direct environment, and much evidence has pointed to a strong coupling between water and protein motions. Recently however, neutron scattering measurements on deuterated and natural-abundance purple membrane (PM), hydrated in H2O and D2O, respectively, revealed that membrane and water motions on the ns–ps time scale are not directly coupled below 260 K (Wood et al. in Proc Natl Acad Sci USA 104:18049–18054, 2007). In the initial study, samples with a high level of hydration were measured. Here, we have measured the dynamics of PM and water separately, at a low-hydration level corresponding to the first layer of hydration water only. As in the case of the higher hydration samples previously studied, the dynamics of PM and water display different temperature dependencies, with a transition in the hydration water at 200 K not triggering a transition in the membrane at the same temperature. Furthermore, neutron diffraction experiments were carried out to monitor the lamellar spacing of a flash-cooled deuterated PM stack hydrated in H2O as a function of temperature. At 200 K, a sudden decrease in lamellar spacing indicated the onset of long-range translational water diffusion in the second hydration layer as has already been observed on flash-cooled natural-abundance PM stacks hydrated in D2O (Weik et al. in J Mol Biol 275:632–634, 2005), excluding thus a notable isotope effect. Our results reinforce the notion that membrane-protein dynamics may be less strongly coupled to hydration water motions than the dynamics of soluble proteins
Belle-II VXD radiation monitoring and beam abort with sCVD diamond sensors
The Belle-II VerteX Detector (VXD) has been designed to improve the performances with respect to Belle and to cope with an unprecedented luminosity of View the MathML source8
71035cm 122s 121 achievable by the SuperKEKB. Special care is needed to monitor both the radiation dose accumulated throughout the life of the experiment and the instantaneous radiation rate, in order to be able to promptly react to sudden spikes for the purpose of protecting the detectors. A radiation monitoring and beam abort system based on single-crystal diamond sensors is now under an active development for the VXD. The sensors will be placed in several key positions in the vicinity of the interaction region. The severe space limitations require a challenging remote readout of the sensors
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