A library of ab initio Raman spectra for automated identification of 2D materials

Raman spectroscopy is frequently used to identify composition, structure and layer thickness of 2D materials. Here, we describe an efficient first-principles workflow for calculating resonant first-order Raman spectra of solids within third-order perturbation theory employing a localized atomic orbital basis set. The method is used to obtain the Raman spectra of 733 different monolayers selected from the computational 2D materials database (C2DB). We benchmark the computational scheme against available experimental data for 15 known monolayers. Furthermore, we propose an automatic procedure for identifying a material based on an input experimental Raman spectrum and illustrate it for the cases of MoS$_2$ (H-phase) and WTe$_2$ (T$^\prime$-phase). The Raman spectra of all materials at different excitation frequencies and polarization configurations are freely available from the C2DB. Our comprehensive and easily accessible library of \textit{ab initio} Raman spectra should be valuable for both theoreticians and experimentalists in the field of 2D materialsComment: 17 pages, 7 figure

Calibration of the Mass-Temperature Relation for Clusters of Galaxies Using Weak Gravitational Lensing

The main uncertainty in current determinations of the power spectrum normalization, sigma_8, from abundances of X-ray luminous galaxy clusters arises from the calibration of the mass-temperature relation. We use our weak lensing mass determinations of 30 clusters from the hitherto largest sample of clusters with lensing masses, combined with X-ray temperature data from the literature, to calibrate the normalization of this relation at a temperature of 8 keV, M_{500c,8 keV}=(8.7 +/- 1.6) h^{-1} 10^{14} M_sun. This normalization is consistent with previous lensing-based results based on smaller cluster samples, and with some predictions from numerical simulations, but higher than most normalizations based on X-ray derived cluster masses. Assuming the theoretically expected slope alpha=3/2 of the mass-temperature relation, we derive sigma_8 = 0.88 +/-0.09 for a spatially-flat LambdaCDM universe with Omega_m = 0.3. The main systematic errors on the lensing masses result from extrapolating the cluster masses beyond the field-of-view used for the gravitational lensing measurements, and from the separation of cluster/background galaxies, contributing each with a scatter of 20%. Taking this into account, there is still significant intrinsic scatter in the mass-temperature relation indicating that this relation may not be very tight, at least at the high mass end. Furthermore, we find that dynamically relaxed clusters are 75 +/-40% hotter than non-relaxed clusters.Comment: 8 pages, 4 figures, revised version submitted to Ap

Swift Identification of Dark Gamma-Ray Bursts

We present an optical flux vs. X-ray flux diagram for all known gamma-ray bursts (GRBs) for which an X-ray afterglow has been detected. We propose an operational definition of dark bursts as those bursts that are optically subluminous with respect to the fireball model, i.e., which have an optical-to-X-ray spectral index beta_OX < 0.5. Out of a sample of 52 GRBs we identify 5 dark bursts. The definition and diagram serve as a simple and quick diagnostic tool for identifying dark GRBs based on limited information, particularly useful for early and objective identification of dark GRBs observed with the Swift satellite.Comment: 4 pages, 1 figure. ApJ Letters, in pres

ISO far-infrared observations of rich galaxy clusters II. Sersic 159-03

The far-infrared emission from rich galaxy clusters is investigated. Maps have been obtained by ISO at 60, 100, 135, and 200 microns using the PHT-C camera. Ground based imaging and spectroscopy were also acquired. Here we present the results for the cooling flow cluster Sersic 159-03. An infrared source coincident with the dominant cD galaxy is found. Some off-center sources are also present, but without any obvious counterparts.Comment: 6 pages, 4 postscript figures, accepted for publication in `Astronomy and Astrophysics

EEG source imaging assists decoding in a face recognition task

EEG based brain state decoding has numerous applications. State of the art decoding is based on processing of the multivariate sensor space signal, however evidence is mounting that EEG source reconstruction can assist decoding. EEG source imaging leads to high-dimensional representations and rather strong a priori information must be invoked. Recent work by Edelman et al. (2016) has demonstrated that introduction of a spatially focal source space representation can improve decoding of motor imagery. In this work we explore the generality of Edelman et al. hypothesis by considering decoding of face recognition. This task concerns the differentiation of brain responses to images of faces and scrambled faces and poses a rather difficult decoding problem at the single trial level. We implement the pipeline using spatially focused features and show that this approach is challenged and source imaging does not lead to an improved decoding. We design a distributed pipeline in which the classifier has access to brain wide features which in turn does lead to a 15% reduction in the error rate using source space features. Hence, our work presents supporting evidence for the hypothesis that source imaging improves decoding

Volume-energy correlations in the slow degrees of freedom of computer-simulated phospholipid membranes

Constant-pressure molecular-dynamics simulations of phospholipid membranes in the fluid phase reveal strong correlations between equilibrium fluctuations of volume and energy on the nanosecond time-scale. The existence of strong volume-energy correlations was previously deduced indirectly by Heimburg from experiments focusing on the phase transition between the fluid and the ordered gel phases. The correlations, which are reported here for three different membranes (DMPC, DMPS-Na, and DMPSH), have volume-energy correlation coefficients ranging from 0.81 to 0.89. The DMPC membrane was studied at two temperatures showing that the correlation coefficient increases as the phase transition is approached

Coherent Transport through an interacting double quantum dot: Beyond sequential tunneling

Various causes for negative differential conductance in transport through an interacting double quantum dot are investigated. Particular focus is given to the interplay between the renormalization of the energy levels due to the coupling to the leads and the decoherence of the states. The calculations are performed within a basis of many-particle eigenstates and we consider the dynamics given by the von Neumann-equation taking into account also processes beyond sequential tunneling. A systematic comparison between the levels of approximation and also with different formalisms is performed. It is found that the current is qualitatively well described by sequential processes as long as the temperature is larger than the level broadening induced by the contacts.Comment: 11 pages, 5 figures included in tex