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The rapid electrification of our society and the transition towards a larger share of intermittent renewable energy sources in our electricity grids will dramatically increase the demand for cheap energy storage. Sodium ion batteries (SIBs) show a lot of promise to provide the required stationary storage at the grid level at low cost owing to the natural abundance and geographical availability of sodium. In addition, alkali-rich cathode materials exhibiting anionic redox contributions have garnered much attention over the past decade as a strategy to increase the specific capacity. In this work, we investigate for the first time the sodium-rich compound Na5FeO4 as a potential low-cost, environment-friendly cathode for sodium ion batteries from first principles using density functional theory. We investigate three low-energy polymorphs related to the antifluorite structure, verify their dynamical and mechanical stabilities, and show that they exhibit promising ion diffusive properties. As alkali-rich cathode materials are prone to oxygen loss during cycling, we investigate cycling stability with respect to phase transformations and oxygen loss and identify in particular one promising cycling interval that can reversibly shuttle 1.5 Na+ per formula unit between Na5FeO4 and Na3.5FeO4 with a gravimetric energy density exceeding 360 W h kg−1. Investigations into possible redox mechanisms reveal that the charge compensation occurs simultaneously on Fe- and O-atoms in FeO4-tetrahedra, which suggests that Na5FeO4, if realised experimentally as a cathode material, would join the family of combined cationic/anionic redox compounds.

In the work presented here, we prepared Ga-substituted NZTO (Na

The Rayleigh scattering of cosmic microwave background (CMB) photons off the neutral hydrogen produced during recombination effectively creates an additional scattering surface after recombination that encodes new cosmological information, including the expansion and ionization history of the universe. A first detection of Rayleigh scattering is a tantalizing target for next-generation CMB experiments. We have developed a Rayleigh scattering forecasting pipeline that includes instrumental effects, atmospheric noise, and astrophysical foregrounds (e.g., Galactic dust, cosmic infrared background, or CIB, and the thermal Sunyaev-Zel'dovich effect). We forecast the Rayleigh scattering detection significance for several upcoming ground-based experiments, including SPT-3G+, Simons Observatory, CCAT-prime, and CMB-S4, and examine the limitations from atmospheric and astrophysical foregrounds as well as potential mitigation strategies. When combined with Planck data, we estimate that the ground-based experiments will detect Rayleigh scattering with a significance between 1.6 and 3.7, primarily limited by atmospheric noise and the CIB., 19 pages, 7 figures (v2 additional author added)

We report a near-broken-gap alignment between p-type FeWO4 and n-type Fe2WO6, a model pair for the realization of Ohmic direct junction thermoelectrics. Both undoped materials have a large Seebeck coefficient and high electrical conductivity at elevated temperatures, due to inherent electronic defects. A band-alignment diagram is proposed based on X-ray photoelectron and ultraviolet–visible light reflectance spectroscopy. Experimentally acquired nonrectifying I–V characteristics and the constructed band-alignment diagram support the proposed formation of a near-broken-gap junction. We have additionally performed computational modeling based on density functional theory (DFT) on bulk models of the individual compounds to rationalize the experimental band-alignment diagram and to provide deeper insight into the relevant band characteristics. The DFT calculations confirm an Fe-3d character of the involved band edges, which we suggest is a decisive feature for the unusual band overlap.

The rapid electrification of our society and the transition towards a larger share of intermittent renewable energy sources in our electricity grids will dramatically increase the demand for cheap energy storage. Sodium ion batteries (SIBs) show a lot of promise to provide the required stationary storage at the grid level at low cost owing to the natural abundance and geographical availability of sodium. In addition, alkali-rich cathode materials exhibiting anionic redox contributions have garnered much attention over the past decade as a strategy to increase the specific capacity. In this work, we investigate for the first time the sodium-rich compound Na

We study the properties of the Sydney University Molonglo Sky Survey (SUMSS) 843~MHz radio AGN population in galaxy clusters from two large catalogs created using the Dark Energy Survey (DES): $\sim$11,800 optically selected RM-Y3 and $\sim$1,000 X-ray selected MARD-Y3 clusters. We show that cluster radio loud AGN are highly concentrated around cluster centers to $z\sim1$. We measure the halo occupation number for cluster radio AGN above a threshold luminosity, finding that the number of radio AGN per cluster increases with cluster halo mass as $N\propto M^{1.2\pm0.1}$ ($N\propto M^{0.68\pm0.34}$) for the RM-Y3 (MARD-Y3) sample. Together, these results indicate that radio mode feedback is favoured in more massive galaxy clusters. Using optical counterparts for these sources, we demonstrate weak redshift evolution in the host broad band colors and the radio luminosity at fixed host galaxy stellar mass. We use the redshift evolution in radio luminosity to break the degeneracy between density and luminosity evolution scenarios in the redshift trend of the radio AGN luminosity function (LF). The LF exhibits a redshift trend of the form $(1+z)^\gamma$ in density and luminosity, respectively, of $\gamma_{\rm D}=3.0\pm0.4$ and $\gamma_{\rm P}=0.21\pm0.15$ in the RM-Y3 sample, and $\gamma_{\rm D}=2.6\pm0.7$ and $\gamma_{\rm P}=0.31\pm0.15$ in MARD-Y3. We discuss the physical drivers of radio mode feedback in cluster AGN, and we use the cluster radio galaxy LF to estimate the average radio-mode feedback energy as a function of cluster mass and redshift and compare it to the core ($, Comment: 20 pages, 15 figures Replaced with published version

We develop an optimal Bayesian solution for jointly inferring secondary signals in the Cosmic Microwave Background (CMB) originating from gravitational lensing and from patchy screening during the epoch of reionization. This method is able to extract full information content from the data, improving upon previously considered quadratic estimators for lensing and screening. We forecast constraints using the Marginal Unbiased Score Expansion (MUSE) method, and show that they are largely dominated by CMB polarization, and depend on the exact details of reionization. For models consistent with current data which produce the largest screening signals, a detection (3\,$\sigma$) of the cross-correlation between lensing and screening is possible with SPT-3G, and a detection of the auto-correlation is possible with CMB-S4. Models with the lowest screening signals evade the sensitivity of SPT-3G, but are still possible to detect with CMB-S4 via their lensing cross-correlation., Comment: 11 pages, 5 figures, 2 tables, prepared for submission to PRD

In the work presented here, we prepared Ga-substituted NZTO (Na2–xZn2–xGaxTeO6, x = 0.00, 0.05, 0.10, 0.15, 0.20) layered materials with a soft chemical, citric acid-based synthesis method and characterized these by means of X-ray diffraction (XRD), 23Na and 125Te NMR, and by density functional theory (DFT) modeling. The influence of randomly distributed Ga cations on the 125Te NMR spectra confirms the successful synthesis. With DFT-based linear response computations, we show that the local distribution of Na ions in the two neighboring interlayers influences the 125Te chemical shift, consistent with observations. DFT modeling suggests that some of the Na sites are rarely occupied in pure NZTO but become favorable upon Ga substitution. There are clear indications that Ga substitution gives an uneven distribution of Na ions in neighboring interlayers and that the Na structure in one layer affects the adjacent layers.

We present measurements of the $E$-mode ($EE$) polarization power spectrum and temperature-$E$-mode ($TE$) cross-power spectrum of the cosmic microwave background using data collected by SPT-3G, the latest instrument installed on the South Pole Telescope. This analysis uses observations of a 1500 deg$^2$ region at 95, 150, and 220 GHz taken over a four month period in 2018. We report binned values of the $EE$ and $TE$ power spectra over the angular multipole range $300 \le \ell < 3000$, using the multifrequency data to construct six semi-independent estimates of each power spectrum and their minimum-variance combination. These measurements improve upon the previous results of SPTpol across the multipole ranges $300 \le \ell \le 1400$ for $EE$ and $300 \le \ell \le 1700$ for $TE$, resulting in constraints on cosmological parameters comparable to those from other current leading ground-based experiments. We find that the SPT-3G dataset is well-fit by a $\Lambda$CDM cosmological model with parameter constraints consistent with those from Planck and SPTpol data. From SPT-3G data alone, we find $H_0 = 68.8 \pm 1.5 \mathrm{km\,s^{-1}\,Mpc^{-1}}$ and $\sigma_8 = 0.789 \pm 0.016$, with a gravitational lensing amplitude consistent with the $\Lambda$CDM prediction ($A_L = 0.98 \pm 0.12$). We combine the SPT-3G and the Planck datasets and obtain joint constraints on the $\Lambda$CDM model. The volume of the 68% confidence region in six-dimensional $\Lambda$CDM parameter space is reduced by a factor of 1.5 compared to Planck-only constraints, with only slight shifts in central values. We note that the results presented here are obtained from data collected during just half of a typical observing season with only part of the focal plane operable, and that the active detector count has since nearly doubled for observations made with SPT-3G after 2018.

Author(s): Gupta, N; Reichardt, CL; Ade, PAR; Anderson, AJ; Archipley, M; Austermann, JE; Avva, JS; Beall, JA; Bender, AN; Benson, BA; Bianchini, F; Bleem, LE; Carlstrom, JE; Chang, CL; Chiang, HC; Citron, R; Corbett Moran, C; Crawford, TM; Crites, AT; de Haan, T; Dobbs, MA; Everett, W; Feng, C; Gallicchio, J; George, EM; Gilbert, A; Halverson, NW; Harrington, N; Henning, JW; Hilton, GC; Holder, GP; Holzapfel, WL; Hou, Z; Hrubes, JD; Huang, N; Hubmayr, J; Irwin, KD; Knox, L; Lee, AT; Li, D; Lowitz, A; Luong-Van, D; Marrone, DP; McMahon, JJ; Meyer, SS; Mocanu, LM; Mohr, JJ; Montgomery, J; Nadolski, A; Natoli, T; Nibarger, JP; Noble, GI; Novosad, V; Padin, S; Patil, S; Pryke, C; Ruhl, JE; Saliwanchik, BR; Sayre, JT; Schaffer, KK; Shirokoff, E; Sievers, C; Smecher, G; Staniszewski, Z; Stark, AA; Story, KT; Switzer, ER; Tucker, C; Vanderlinde, K; Veach, T; Vieira, JD; Wang, G; Whitehorn, N; Williamson, R; Wu, WLK; Yefremenko, V; Zhang, L | Abstract: We study the polarization properties of extragalactic sources at 95 and 150 GHz in the SPTpol 500 deg2 survey. We estimate the polarized power by stacking maps at known source positions, and correct for noise bias by subtracting the mean polarized power at random positions in the maps. We show that the method is unbiased using a set of simulated maps with similar noise properties to the real SPTpol maps. We find a flux-weighted mean-squared polarization fraction 〈p2〉= [8.9 ± 1.1] × 10−4 at 95 GHz and [6.9 ± 1.1] × 10−4 at 150 GHz for the full sample. This is consistent with the values obtained for a subsample of active galactic nuclei. For dusty sources, we find 95 per cent upper limits of 〈p2〉95 l 16.9 × 10−3 and 〈p2〉150 l 2.6 × 10−3. We find no evidence that the polarization fraction depends on the source flux or observing frequency. The 1σ upper limit on measured mean-squared polarization fraction at 150 GHz implies that extragalactic foregrounds will be subdominant to the CMB E and B mode polarization power spectra out to at least l ≲ 5700 (l ≲ 4700) and l ≲ 5300 (l ≲ 3600), respectively, at 95 (150) GHz.

In this work, we examine the distribution of Na+ ions in the interlayer of the super-ionic conductor Na2Zn2TeO6 by means of atomistic first-principle modeling based on density functional theory. Th...

Transition metal containing polyanion compounds are effective excellent electrode materials for sodium-ion batteries due to their high intrinsic electrochemical potentials and to the resulting high energy density. Iron sodium phosphates, in particular, are attractive due to the large natural abundance of both Na and Fe. These materials have been extensively studied in their most common olivine structures: maricite and triphylite. In this work, we expand the current knowledge of this class of materials by investigating the structural properties and the energetics of a series of modification exhibiting different coordination for the intermetallic atom M = Mn, Fe, Co, Ni by means of density functional theory calculations. An expanded-volume NaFePO4 configuration with the zeolite ABW structure is predicted to be stable at high temperature. This type of structure, presenting a tetrahedral Fe O coordination geometry, has been previously reported only for the NaCoPO4 case. A semi-amorphous phase is predicted to be a possible metastable intermediate configuration between the known octahedral coordinated structures and the novel tetrahedral-coordinated one. The electrochemical characterisation of the latter reveals a similar deintercalation potential with respect to triphylite, and a higher diffusion barrier caused by the incompressibility of the PO4 tetrahedra along the diffusive path. This result offers important insight about the correlation between the diffusive properties of ions and their local chemical environment.

We present a search for anisotropic cosmic birefringence in 500 deg$^2$ of southern sky observed at 150 GHz with the SPTpol camera on the South Pole Telescope. We reconstruct a map of cosmic polarization rotation anisotropies using higher-order correlations between the observed cosmic microwave background (CMB) $E$ and $B$ fields. We then measure the angular power spectrum of this map, which is found to be consistent with zero. The non-detection is translated into an upper limit on the amplitude of the scale-invariant cosmic rotation power spectrum, $L(L+1)C_L^{\alpha\alpha}/2\pi < 0.10 \times 10^{-4}$ rad$^2$ (0.033 deg$^2$, 95% C.L.). This upper limit can be used to place constraints on the strength of primordial magnetic fields, $B_{1 \rm Mpc} < 17 {\rm nG} $ (95% C.L.), and on the coupling constant of the Chern-Simons electromagnetic term $g_{a\gamma} < 4.0 \times 10^{-2}/H_I $ (95% C.L.), where $H_I$ is the inflationary Hubble scale. For the first time, we also cross-correlate the CMB temperature fluctuations with the reconstructed rotation angle map, a signal expected to be non-vanishing in certain theoretical scenarios, and find no detectable signal. We perform a suite of systematics and consistency checks and find no evidence for contamination., Comment: 17 pages, 7 figures - new subsection on non-Gaussian foregrounds, conclusions unchanged - updated to match published version on PRD

We report a B-mode power spectrum measurement from the cosmic microwave background (CMB) polarization anisotropy observations made using the SPTpol instrument on the South Pole Telescope. This work uses 500 deg$^2$ of SPTpol data, a five-fold increase over the last SPTpol B-mode release. As a result, the bandpower uncertainties have been reduced by more than a factor of two, and the measurement extends to lower multipoles: $52 < \ell < 2301$. Data from both 95 and 150 GHz are used, allowing for three cross-spectra: 95 GHz x 95 GHz, 95 GHz x 150 GHz, and 150 GHz x 150 GHz. B-mode power is detected at very high significance; we find $P(BB < 0) = 5.8 \times 10^{-71}$, corresponding to a $18.1 ��$ detection of power. An upper limit is set on the tensor-to-scalar ratio, $r < 0.44$ at 95% confidence (the expected $1 ��$ constraint on $r$ given the measurement uncertainties is 0.22). We find the measured B-mode power is consistent with the Planck best-fit $��$CDM model predictions. Scaling the predicted lensing B-mode power in this model by a factor Alens, the data prefer Alens = $1.17 \pm 0.13$. These data are currently the most precise measurements of B-mode power at $\ell > 320$., 16 pages, 4 figures, Submitted to PRD

The layered oxide Na2Zn2TeO6 is a fast Na+ ion conductor and a suitable candidate for application as a solid-state electrolyte. We present a detailed study on how synthesis temperature and Na-content affect the crystal structure and thus the Na+ ion conductivity of Na2Zn2TeO6. Furthermore, we report for the first time an O′3-type phase for Na2Zn2TeO6. At a synthesis temperature of 900 °C, we obtain a pure P2-type phase, providing peak performance in Na+ ion conductivity. Synthesis temperatures lower than 900 °C produce a series of mixed P2 and O′3-type phases. The O′3 structure can only be obtained as a pure phase by substituting Li on the Zn-sites to increase the Na-content. Thorough analysis of synchrotron data combined with computational modeling indicates that Li enters the Zn sites and, consequently, the amount of Na in the structure increases to balance the charge according to the formula Na2+xZn2–xLixTeO6 (x = 0.2–0.5). Impedance spectroscopy and computational modeling confirm that reducing the amount of the O′3-type phase enhances the Na+ ion mobility.

POLARBEAR is a Cosmic Microwave Background radiation (CMB) polarization experiment that is located in the Atacama Desert in Chile. The scientific goals of the experiment are to characterize the B-mode signal from gravitational lensing, as well as to search for B-mode signals created by primordial gravitational waves (PGWs). Polarbear started observations in 2012 and has published a series of results. These include the first measurement of a nonzero B-mode angular auto-power spectrum at sub-degree scales where the dominant signal is gravitational lensing of the CMB. In addition, we have achieved the first measurement of crosscorrelation between the lensing potential, which was reconstructed from the CMB polarization data alone by Polarbear, and the cosmic shear field from galaxy shapes by the Subaru Hyper Suprime-Cam (HSC) survey. In 2014, we installed a continuously rotating half-wave plate (CRHWP) at the focus of the primary mirror to search for PGWs and demonstrated the control of low-frequency noise. We have found that the low-frequency B-mode power in the combined dataset with the Planck high-frequency maps is consistent with Galactic dust foreground, thus placing an upper limit on the tensor-to-scalar ratio of r < 0.90 at the 95% confidence level after marginalizing over the foregrounds.

Full author list: L. E. Bleem, S. Bocquet, B. Stalder, M. D. Gladders, P. A. R. Ade, S. W. Allen, A. J. Anderson, J. Annis, M. L. N. Ashby, J. E. Austermann, S. Avila, J. S. Avva, M. Bayliss, J. A. Beall, K. Bechtol, A. N. Bender, B. A. Benson, E. Bertin, F. Bianchini, C. Blake, M. Brodwin, D. Brooks, E. Buckley-Geer, D. L. Burke, J. E. Carlstrom, A. Carnero Rosell, M. Carrasco Kind, J. Carretero, C. L. Chang, H. C. Chiang, R. Citron, C. Corbett Moran, M. Costanzi, T. M. Crawford, A. T. Crites, L. N. da Costa, T. de Haan, J. De Vicente, S. Desai, H. T. Diehl, J. P. Dietrich, M. A. Dobbs, T. F. Eifler, W. Everett, B. Flaugher, B. Floyd, J. Frieman, J. Gallicchio, J. García-Bellido, E. M. George, D. W. Gerdes, A. Gilbert, D. Gruen, R. A. Gruendl, J. Gschwend, N. Gupta, G. Gutierrez, N. W. Halverson, N. Harrington, J. W. Henning, C. Heymans, G. P. Holder, D. L. Hollowood, W. L. Holzapfel, K. Honscheid, J. D. Hrubes, N. Huang, J. Hubmayr, K. D. Irwin, D. J. James, T. Jeltema, S. Joudaki, G. Khullar, M. Klein, L. Knox, N. Kuropatkin, A. T. Lee, D. Li, C. Lidman, A. Lowitz, N. MacCrann, G. Mahler, M. A. G. Maia, J. L. Marshall, M. McDonald, J. J. McMahon, P. Melchior, F. Menanteau, S. S. Meyer, R. Miquel, L. M. Mocanu, J. J. Mohr, J. Montgomery, A. Nadolski, T. Natoli, J. P. Nibarger, G. Noble, V. Novosad, S. Padin, A. Palmese, D. Parkinson, S. Patil, F. Paz-Chinchón, A. A. Plazas, C. Pryke, N. S. Ramachandra, C. L. Reichardt, J. D. Remolina González, A. K. Romer, A. Roodman, J. E. Ruhl, E. S. Rykoff, B. R. Saliwanchik, E. Sanchez, A. Saro, J. T. Sayre, K. K. Schaffer, T. Schrabback, S. Serrano, K. Sharon, C. Sievers, G. Smecher, M. Smith, M. Soares-Santos, A. A. Stark, K. T. Story, E. Suchyta, G. Tarle, C. Tucker, K. Vanderlinde, T. Veach, J. D. Vieira, G. Wang, J. Weller, N. Whitehorn, W. L. K. Wu, V. Yefremenko, and Y. Zhang, We describe the observations and resultant galaxy cluster catalog from the 2770 deg2 SPTpol Extended Cluster Survey (SPT-ECS). Clusters are identified via the Sunyaev-Zel'dovich (SZ) effect and confirmed with a combination of archival and targeted follow-up data, making particular use of data from the Dark Energy Survey (DES). With incomplete follow-up we have confirmed as clusters 244 of 266 candidates at a detection significance ξ ≥ 5 and an additional 204 systems at 4 < ξ < 5. The confirmed sample has a median mass of M500c ~ 4.4 ¿ 1014 M☉ h70 -1 and a median redshift of z = 0.49, and we have identified 44 strong gravitational lenses in the sample thus far. Radio data are used to characterize contamination to the SZ signal; the median contamination for confirmed clusters is predicted to be ∼1% of the SZ signal at the ξ > 4 threshold, and 10% of their measured SZ flux. We associate SZ-selected clusters, from both SPT-ECS and the SPT-SZ survey, with clusters from the DES redMaPPer sample, and we find an offset distribution between the SZ center and central galaxy in general agreement with previous work, though with a larger fraction of clusters with significant offsets. Adopting a fixed Planck-like cosmology, we measure the optical richness-SZ mass (l - M) relation and find it to be 28% shallower than that from a weak-lensing analysis of the DES data-a difference significant at the 4σ level-with the relations intersecting at λ = 60. The SPT-ECS cluster sample will be particularly useful for studying the evolution of massive clusters and, in combination with DES lensing observations and the SPT-SZ cluster sample, will be an important component of future cosmological analyses., This work was performed in the context of the South Pole Telescope scientific program. SPT is supported by the National Science Foundation through grant PLR-1248097. Partial support is also provided by the NSF Physics Frontier Center grant PHY-0114422 to the Kavli Institute of Cosmological Physics at the University of Chicago, the Kavli Foundation, and the Gordon and Betty Moore Foundation grant GBMF 947 to the University of Chicago. This work is also supported by the U.S. Department of Energy. PISCO observations are supported by NSF AST-1814719. Work at Argonne National Lab is supported by UChicago Argonne LLC, operator of Argonne National Laboratory (Argonne). Argonne, a U.S. Department of Energy Office of Science Laboratory, is operated under contract No. DE-AC02- 06CH11357. We also acknowledge support from the Argonne Center for Nanoscale Materials. M.G. and L.B. acknowledge partial support from HST-GO-15307.001. B.B. is supported by the Fermi Research Alliance LLC under contract No. De-AC02- 07CH11359 with the U.S. Department of Energy. The CU Boulder group acknowledges support from NSF AST-0956135. The McGill authors acknowledge funding from the Natural Sciences and Engineering Research Council of Canada, Canadian Institute for Advanced Research, and the Fonds de Recherche du Québec Nature et technologies. The UCLA authors acknowledge support from NSF AST-1716965 and CSSI-1835865. The Stanford/SLAC group acknowledges support from the U.S. Department of Energy under contract No. DE-AC02-76SF00515. A.S. is supported by the ERC-StG “ClustersXCosmo” grant agreement 716762 and by the FARE-MIUR grant “ClustersXEuclid” R165SBKTMA. C.H. acknowledges support from the Max Planck Society and the Alexander von Humboldt Foundation, in the framework of the Max Planck-Humboldt Research Award endowed by the Federal Ministry of Education and Research, in addition to support from the European Research Council under grant No. 647112. S.J. acknowledges support from the Beecroft Trust and ERC 693024. T.S. acknowledges support from the German Federal Ministry of Economics and Technology (BMWi) provided through DLR under projects 50 OR 1610 and 50 OR 1803, as well as support from the Deutsche Forschungsgemeinschaft, DFG, under project SCHR 1400/3-1. The Melbourne authors acknowledge support from the Australian Research Council’s Discovery Projects scheme (DP150103208). The 2dFLenS survey is based on data acquired through the Australian Astronomical Observatory, under program A/2014B/008. This work is based in part on observations made with the Spitzer Space Telescope, which is operated by the Jet Propulsion Laboratory, California Institute of Technology, under a contract with NASA. Funding for the DES Projects has been provided by the U.S. Department of Energy, the U.S. National Science Foundation, the Ministry of Science and Education of Spain, the Science and Technology Facilities Council of the United Kingdom, the Higher Education Funding Council for England, the National Center for Supercomputing Applications at the University of Illinois at Urbana-Champaign, the Kavli Institute of Cosmological Physics at the University of Chicago, the Center for Cosmology and Astro-Particle Physics at The Ohio State University, the Mitchell Institute for Fundamental Physics and Astronomy at Texas A&M University, Financiadora de Estudos e Projetos, Fundação Carlos Chagas Filho de Amparo à Pesquisa do Estado do Rio de Janeiro, Conselho Nacional de Desenvolvimento Científico e Tecnológico and the Ministério da Ciência, Tecnologia e Inovação, the Deutsche Forschungsgemeinschaft, and the Collaborating Institutions in the Dark Energy Survey. The Collaborating Institutions are Argonne National Laboratory, the University of California at Santa Cruz, the University of Cambridge, Centro de Investigaciones Energéticas, Medioambientales y Tecnológicas-Madrid, the University of Chicago, University College London, the DES-Brazil Consortium, the University of Edinburgh, the Eidgenössische Technische Hochschule (ETH) Zürich, Fermi National Accelerator Laboratory, the University of Illinois at UrbanaChampaign, the Institut de Ciències de l’Espai (IEEC/CSIC), the Institut de Física d’Altes Energies, Lawrence Berkeley National Laboratory, the Ludwig-Maximilians Universität München and the associated Excellence Cluster Universe, the University of Michigan, the National Optical Astronomy Observatory, the University of Nottingham, The Ohio State University, the University of Pennsylvania, the University of Portsmouth, SLAC National Accelerator Laboratory, Stanford University, the University of Sussex, Texas A&M University, and the OzDES Membership Consortium. Based in part on observations at Cerro Tololo InterAmerican Observatory, National Optical Astronomy Observatory, which is operated by the Association of Universities for Research in Astronomy (AURA) under a cooperative agreement with the National Science Foundation. The DES data management system is supported by the National Science Foundation under grant Nos. AST-1138766 and AST-1536171. The DES participants from Spanish institutions are partially supported by MINECO under grants AYA2015-71825, ESP2015-66861, FPA2015-68048, SEV2016-0588, SEV-2016-0597, and MDM-2015-0509, some of which include ERDF funds from the European Union. IFAE is partially funded by the CERCA program of the Generalitat de Catalunya. Research leading to these results has received funding from the European Research Council under the European Union’s Seventh Framework Program (FP7/2007- 2013), including ERC grant agreements 240672, 291329, and 306478. We acknowledge support from the Brazilian Instituto Nacional de Ciência e Tecnologia (INCT) e-Universe (CNPq grant 465376/2014-2). This manuscript has been authored by Fermi Research Alliance, LLC, under contract No. DE-AC02-07CH11359 with the U.S. Department of Energy, Office of Science, Office of High Energy Physics. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Pan-STARRS1 Surveys (PS1) and the PS1 public science archive have been made possible through contributions by the Institute for Astronomy, the University of Hawaii, the Pan-STARRS Project Office, the Max-Planck Society and its participating institutes, the Max Planck Institute for Astronomy, Heidelberg and the Max Planck Institute for Extraterrestrial Physics, Garching, Johns Hopkins University, Durham University, the University of Edinburgh, the Queen’s University Belfast, the Harvard-Smithsonian Center for Astrophysics, the Las Cumbres Observatory Global Telescope Network Incorporated, the National Central University of Taiwan, the Space Telescope Science Institute, the National Aeronautics and Space Administration under grant No. NNX08AR22G issued through the Planetary Science Division of the NASA Science Mission Directorate, the National Science Foundation grant No. AST1238877, the University of Maryland, Eotvos Lorand University (ELTE), the Los Alamos National Laboratory, and the Gordon and Betty Moore Foundation

The layered oxide Na2Zn2TeO6 is a fast Na+ ion conductor and a suitable candidate for application as a solid-state electrolyte. We present a detailed study on how synthesis temperature and Na-content affect the crystal structure and thus the Na+ ion conductivity of Na2Zn2TeO6. Furthermore, we report for the first time an O'3-type phase for Na2Zn2TeO6. At a synthesis temperature of 900 °C, we obtain a pure P2-type phase, providing peak performance in Na+ ion conductivity. Synthesis temperatures lower than 900 °C produce a series of mixed P2 and O'3-type phases. The O'3 structure can only be obtained as a pure phase by substituting Li on the Zn-sites to increase the Na-content. Thorough analysis of synchrotron data combined with computational modeling indicates that Li enters the Zn sites and, consequently, the amount of Na in the structure increases to balance the charge according to the formula Na2+xZn2-xLixTeO6 (x = 0.2-0.5). Impedance spectroscopy and computational modeling confirm that reducing the amount of the O'3-type phase enhances the Na+ ion mobility.

We present a constraint on the tensor-to-scalar ratio, $r$, derived from measurements of cosmic microwave background (CMB) polarization $B$-modes with "delensing," whereby the uncertainty on $r$ contributed by the sample variance of the gravitational lensing $B$-modes is reduced by cross-correlating against a lensing $B$-mode template. This template is constructed by combining an estimate of the polarized CMB with a tracer of the projected large-scale structure. The large-scale-structure tracer used is a map of the cosmic infrared background derived from Planck satellite data, while the polarized CMB map comes from a combination of South Pole Telescope, BICEP/Keck, and Planck data. We expand the BICEP/Keck likelihood analysis framework to accept a lensing template and apply it to the BICEP/Keck data set collected through 2014 using the same parametric foreground modelling as in the previous analysis. From simulations, we find that the uncertainty on $r$ is reduced by $\sim10\%$, from $��(r)$= 0.024 to 0.022, which can be compared with a $\sim26\%$ reduction obtained when using a perfect lensing template. Applying the technique to the real data, the constraint on $r$ is improved from $r_{0.05} < 0.090$ to $r_{0.05} < 0.082$ (95\% C.L.). This is the first demonstration of improvement in an $r$ constraint through delensing., 23 pages, 11 figures; match published version

We report a measurement of the E-mode polarization power spectrum of the cosmic microwave background (CMB) using 150 GHz data taken from July 2014 to December 2016 with the POLARBEAR experiment. We reach an effective polarization map noise level of $32\,\mu\mathrm{K}$-$\mathrm{arcmin}$ across an observation area of 670 square degrees. We measure the EE power spectrum over the angular multipole range $500 \leq \ell, Comment: 15 pages, 5 figures, submitted to ApJ

We report new measurements of millimeter-wave power spectra in the angular multipole range $2000 \le \ell \le 11,000$ (angular scales $5^\prime \gtrsim \theta \gtrsim 1^\prime$). By adding 95 and 150\,GHz data from the low-noise 500 deg$^2$ SPTpol survey to the SPT-SZ three-frequency 2540 deg$^2$ survey, we substantially reduce the uncertainties in these bands. These power spectra include contributions from the primary cosmic microwave background, cosmic infrared background, radio galaxies, and thermal and kinematic Sunyaev-Zel'dovich (SZ) effects. The data favor a thermal SZ (tSZ) power at 143\,GHz of $D^{\rm tSZ}_{3000} = 3.42 \pm 0.54~ \mu {\rm K}^2$ and a kinematic SZ (kSZ) power of $D^{\rm kSZ}_{3000} = 3.0 \pm 1.0~ \mu {\rm K}^2$. This is the first measurement of kSZ power at $\ge 3\,\sigma$. We study the implications of the measured kSZ power for the epoch of reionization, finding the duration of reionization to be $\Delta z_{re} = 1.0^{+1.6}_{-0.7}$ ($\Delta z_{re}< 4.1$ at 95% confidence), when combined with our previously published tSZ bispectrum measurement., Comment: Submitted to ApJ, 16 pages. (revised portions of the introduction and description of bandpower estimation)

We present a catalog of galaxy cluster candidates detected in 100 square degrees surveyed with the SPTpol receiver on the South Pole Telescope. The catalog contains 89 candidates detected with a signal-to-noise ratio greater than 4.6. The candidates are selected using the Sunyaev-Zel'dovich effect at 95 and 150 GHz. Using both space- and ground-based optical and infrared telescopes, we have confirmed 81 candidates as galaxy clusters. We use these follow-up images and archival images to estimate photometric redshifts for 66 galaxy clusters and spectroscopic observations to obtain redshifts for 13 systems. An additional 2 galaxy clusters are confirmed using the overdensity of near-infrared galaxies only, and are presented without redshifts. We find that 15 candidates (18% of the total sample) are at redshift of $z \geq 1.0$, with a maximum confirmed redshift of $z_{\rm{max}} = 1.38 \pm 0.10$. We expect this catalog to contain every galaxy cluster with $M_{500c} > 2.6 \times 10^{14} M_\odot h^{-1}_{70}$ and $z > 0.25$ in the survey area. The mass threshold is approximately constant above $z = 0.25$, and the complete catalog has a median mass of approximately $ M_{500c} = 2.7 \times 10^{14} M_\odot h^{-1}_{70}$. Compared to previous SPT works, the increased depth of the millimeter-wave data (11.2 and 6.5 $��$K-arcmin at 95 and 150 GHz, respectively) makes it possible to find more galaxy clusters at high redshift and lower mass., 21 pages, 7 figures, associated data available at http://pole.uchicago.edu/public/data/sptsz-clusters. V2 was accepted to the AJ, and includes minor changes requested by the reviewer

We present cosmological constraints based on the cosmic microwave background (CMB) lensing potential power spectrum measurement from the recent 500 deg$^2$ SPTpol survey, the most precise CMB lensing measurement from the ground to date. We fit a flat $\Lambda$CDM model to the reconstructed lensing power spectrum alone and in addition with other data sets: baryon acoustic oscillations (BAO) as well as primary CMB spectra from Planck and SPTpol. The cosmological constraints based on SPTpol and Planck lensing band powers are in good agreement when analysed alone and in combination with Planck full-sky primary CMB data. With weak priors on the baryon density and other parameters, the CMB lensing data alone provide a 4\% constraint on $\sigma_8\Omega_m^{0.25} = 0.0593 \pm 0.025$.. Jointly fitting with BAO data, we find $\sigma_8=0.779 \pm 0.023$, $\Omega_m = 0.368^{+0.032}_{-0.037}$, and $H_0 = 72.0^{+2.1}_{-2.5}\,\text{km}\,\text{s}^{-1}\,\text{Mpc}^{-1} $, up to $2\,\sigma$ away from the central values preferred by Planck lensing + BAO. However, we recover good agreement between SPTpol and Planck when restricting the analysis to similar scales. We also consider single-parameter extensions to the flat $\Lambda$CDM model. The SPTpol lensing spectrum constrains the spatial curvature to be $\Omega_K = -0.0007 \pm 0.0025$ and the sum of the neutrino masses to be $\sum m_{\nu} < 0.23$ eV at 95\% C.L. (with Planck primary CMB and BAO data), in good agreement with the Planck lensing results. With the differences in the $S/N$ of the lensing modes and the angular scales covered in the lensing spectra, this analysis represents an important independent check on the full-sky Planck lensing measurement., Comment: 16 pages, 8 figures, 3 tables, updated to match the version published on ApJ

The research of superior ionic conductors is a very active field. Identifying such materials would allow for the design of improved solid-state Li-ion batteries, solving the safety hazard posed by the liquid electrolytes and improving the electrochemical stability and thus the energy efficiency. In this work, we study lithium orthothioborate Li3BS3 by means of first-principle atomistic calculations based on density functional theory. This material is a very promising super ion conductor candidate, as it is a layered compound based on a deformed body-centred structure of the anion sublattice. The minimum energy paths for the diffusion of the lithium ions are identified, and the activation energy are evaluated using the nudged elastic band method. A very fast 1D diffusive channel is found, contained in a Li-rich layer, with an activation energy below 0.1 eV. The other paths connecting these layers and extending the mobility of lithium to the whole structure are found to have activation barriers of 0.25 eV or lower. This bottleneck corresponds to a diffusion coefficient of the order of 10 - 6 cm2 s−1, thus characterising lithium orthothioborate as an excellent ionic conductor.

Lithium aluminates are attracting increasing attention as battery materials. They are typically used for the coating of electrodes. The diffusive properties of the equilibrium tetragonal phase (γ) are well understood from both an experimental and a theoretical perspective, and the major diffusive mechanism is recognised to be vacancy hopping between neighbouring sites. Investigations of this type are however not reported for other, high-pressure LiAlO2 phases. Moreover, the ionic diffusivity of the Na-based aluminates, manifesting a similar polymorphism to LiAlO2, has never been studied using atomistic techniques. In this work, we address these points, by presenting a comparative density functional theory-based study of these materials, describing the structural properties of the various phases, and evaluating the activation energies for single vacancy hops. While LiAlO2 exhibits a poor ionic conductivity due to a significant degree of covalency of the Al-O bonding, orthorhombic β-NaAlO2 exhibits a significantly lower diffusion barrier. This feature cannot be explained only in terms of the larger equilibrium volume, as the same trend is not observed for the high-pressure trigonal α-LiAlO2 and α-NaAlO2. We utilise here various electronic-structure tools to verify the lower degree of covalency of the Na-O bonds. The electron localisation function, in particular, is shown to be intrinsically correlated to the diffusion pathways of Li and Na ions, and its variation along the path is a qualitative measure of ionic conductivity.

Sodium orthosilicates Na2MSiO4 (M = Mn, Fe, Co and Ni) have attracted much attention due to the possibility of exchanging two electrons per formula unit. They are also found to exhibit great structural stability due to a diamond-like arrangement of tetrahedral groups. In this work, we have systematically studied the possible polymorphism of these compounds by means of density functional theory, optimising the structure of a number of systems with different group symmetries. The ground state is found to be Pc-symmetric for all the considered M = Mn, Fe, Co, Ni, and several similar structures exhibiting different symmetries coexist within a 0.3 eV energy window from this structural minimum. The intercalation/deintercalation potential is calculated for varying transition metal atoms M. Iron sodium orthosilicates, attractive due to the natural abundance of both materials, exhibit a low voltage, which can be enhanced by doping with nickel. The diffusion pathways for Na atoms are discussed, and the relevant barriers are calculated using the nudged elastic band method on top of DFT calculations. Also in this case, nickel impurities would improve the material performances by lowering the barrier heights. Notably, the ionic conductivity is found to be systematically larger with respect to the case of lithium orthosilicates, due to a larger spacing between atomic layers and to the non-directional bonding between Na and the neighbouring atoms. Overall, the great structural stability of the material together with the low barriers for Na diffusion indicates this class of materials as good candidates for modern battery technologies.

Using only cosmic microwave background polarization data from the POLARBEAR experiment, we measure $B$-mode polarization delensing on subdegree scales at more than $5\sigma$ significance. We achieve a 14% $B$-mode power variance reduction, the highest to date for internal delensing, and improve this result to 2% by applying for the first time an iterative maximum a posteriori delensing method. Our analysis demonstrates the capability of internal delensing as a means of improving constraints on inflationary models, paving the way for the optimal analysis of next-generation primordial $B$-mode experiments., Comment: Matches version published in Physical Review Letters

We present a measurement of the cosmic microwave background (CMB) lensing potential using 500 deg$^2$ of 150 GHz data from the SPTpol receiver on the South Pole Telescope. The lensing potential is reconstructed with signal-to-noise per mode greater than unity at lensing multipoles $L \lesssim 250$, using a quadratic estimator on a combination of CMB temperature and polarization maps. We report measurements of the lensing potential power spectrum in the multipole range of $100< L < 2000$ from sets of temperature-only, polarization-only, and minimum-variance estimators. We measure the lensing amplitude by taking the ratio of the measured spectrum to the expected spectrum from the best-fit $\Lambda$CDM model to the $\textit{Planck}$ 2015 TT+lowP+lensing dataset. For the minimum-variance estimator, we find $A_{\rm{MV}} = 0.944 \pm 0.058{\rm (Stat.)}\pm0.025{\rm (Sys.)}$; restricting to only polarization data, we find $A_{\rm{POL}} = 0.906 \pm 0.090 {\rm (Stat.)} \pm 0.040 {\rm (Sys.)}$. Considering statistical uncertainties alone, this is the most precise polarization-only lensing amplitude constraint to date (10.1 $\sigma$), and is more precise than our temperature-only constraint. We perform null tests and consistency checks and find no evidence for significant contamination., Comment: 18 pages, 8 figures; updated to match published version

We present a measurement of the $B$-mode polarization power spectrum of the cosmic microwave background (CMB) using taken from July 2014 to December 2016 with the POLARBEAR experiment. The CMB power spectra are measured using observations at 150 GHz with an instantaneous array sensitivity of $\mathrm{NET}_\mathrm{array}=23\, \mu \mathrm{K} \sqrt{\mathrm{s}}$ on a 670 square degree patch of sky centered at (RA, Dec)=($+0^\mathrm{h}12^\mathrm{m}0^\mathrm{s},-59^\circ18^\prime$). A continuously rotating half-wave plate is used to modulate polarization and to suppress low-frequency noise. We achieve $32\,\mu\mathrm{K}$-$\mathrm{arcmin}$ effective polarization map noise with a knee in sensitivity of $\ell = 90$, where the inflationary gravitational wave signal is expected to peak. The measured $B$-mode power spectrum is consistent with a $\Lambda$CDM lensing and single dust component foreground model over a range of multipoles $50 \leq \ell \leq 600$. The data disfavor zero $C_\ell^{BB}$ at $2.2\sigma$ using this $\ell$ range of POLARBEAR data alone. We cross-correlate our data with Planck high frequency maps and find the low-$\ell$ $B$-mode power in the combined dataset to be consistent with thermal dust emission. We place an upper limit on the tensor-to-scalar ratio $r < 0.90$ at 95% confidence level after marginalizing over foregrounds.

International audience; Polarbear-2A is the first of three receivers in the Simons array, a cosmic microwave background experiment located on the Atacama Plateau in Chile. Polarbear-2A was deployed and achieved the first light in January 2019 by mapping the microwave emission from planet observations. Commissioning work is underway to prepare the receiver for science observations.

We report the first detection of gravitational lensing due to galaxy clusters using only the polarization of the cosmic microwave background (CMB). The lensing signal is obtained using a new estimator that extracts the lensing dipole signature from stacked images formed by rotating the cluster-centered Stokes $Q/U$ map cutouts along the direction of the locally measured background CMB polarization gradient. Using data from the SPTpol 500 deg$^{2}$ survey at the locations of roughly 18,000 clusters with richness $\lambda \ge 10$ from the Dark Energy Survey (DES) Year-3 full galaxy cluster catalog, we detect lensing at $4.8\sigma$. The mean stacked mass of the selected sample is found to be $(1.43 \pm 0.4)\ \times 10^{14}\ {\rm M_{\odot}}$ which is in good agreement with optical weak lensing based estimates using DES data and CMB-lensing based estimates using SPTpol temperature data. This measurement is a key first step for cluster cosmology with future low-noise CMB surveys, like CMB-S4, for which CMB polarization will be the primary channel for cluster lensing measurements., Comment: 10 pages, 3 figures, 1 table; typos fixed; accepted for publication in PRL

We present an extension of the ‘learn on the fly’ method to the study of the motion of dislocations in metallic systems, developed with the aim of producing information-efficient force models that can be systematically validated against reference QM calculations. Nye tensor analysis is used to dynamically track the quantum region centered at the core of a dislocation, thus enabling quantum mechanics/molecular mechanics simulations. The technique is used to study the motion of screw dislocations in Ni-Al systems, relevant to plastic deformation in Ni-based alloys, at a variety of temperature/strain conditions. These simulations reveal only a moderate spacing ( ∼ 5 A ) between Shockley partial dislocations, at variance with the predictions of traditional molecular dynamics (MD) simulation using interatomic potentials, which yields a much larger spacing in the high stress regime. The discrepancy can be rationalized in terms of the elastic properties of an hcp crystal, which influence the behavior of the stacking fault region between Shockley partial dislocations. The transferability of this technique to more challenging systems is addressed, focusing on the expected accuracy of such calculations. The bcc α − Fe phase is a prime example, as its magnetic properties at the open surfaces make it particularly challenging for embedding-based QM/MM techniques. Our tests reveal that high accuracy can still be obtained at the core of a dislocation, albeit at a significant computational cost for fully converged results. However, we find this cost can be reduced by using a machine learning approach to progressively reduce the rate of expensive QM calculations required during the dynamical simulations, as the size of the QM database increases.

We use cosmic microwave background (CMB) temperature maps from the 500 deg$^{2}$ SPTpol survey to measure the stacked lensing convergence of galaxy clusters from the Dark Energy Survey (DES) Year-3 redMaPPer (RM) cluster catalog. The lensing signal is extracted through a modified quadratic estimator designed to be unbiased by the thermal Sunyaev-Zel{'}dovich (tSZ) effect. The modified estimator uses a tSZ-free map, constructed from the SPTpol 95 and 150 GHz datasets, to estimate the background CMB gradient. For lensing reconstruction, we employ two versions of the RM catalog: a flux-limited sample containing 4003 clusters and a volume-limited sample with 1741 clusters. We detect lensing at a significance of 8.7$\sigma$(6.7$\sigma$) with the flux(volume)-limited sample. By modeling the reconstructed convergence using the Navarro-Frenk-White profile, we find the average lensing masses to be $M_{200m}$ = ($1.62^{+0.32}_{-0.25}$ [stat.] $\pm$ 0.04 [sys.]) and ($1.28^{+0.14}_{-0.18}$ [stat.] $\pm$ 0.03 [sys.]) $\times\ 10^{14}\ M_{\odot}$ for the volume- and flux-limited samples respectively. The systematic error budget is much smaller than the statistical uncertainty and is dominated by the uncertainties in the RM cluster centroids. We use the volume-limited sample to calibrate the normalization of the mass-richness scaling relation, and find a result consistent with the galaxy weak-lensing measurements from DES (Mcclintock et al. 2018)., Comment: 19 pages, 6 figures, published in ApJ

In recent years, the scientific community has shown an increasing interest in regards to the investigation of novel materials for the intercalation of lithium atoms, suitable for application as cathodes in the new generations of Li-ion batteries. Within this framework, we have computed the relative structural stability, the electronic structure, the elastic and dynamic properties of Li2MSiO4 compounds (M = Mn, Co, Ni) by means of first-principles calculations based on density functional theory. The so-obtained structural parameters of the examined phases are in agreement with previous reports. The energy differences between different polymorphs are found to be small, and most of these structures are dynamically stable. The band structures and density of states are computed to analyse the electronic properties and characterise the chemical bonding. The single crystal elastic constants are calculated for all the examined modifications, proving their mechanical stability. These Li2MSiO4 materials are found to present a ductile behaviour upon deformation. The diffusion coefficients of Li ions, calculated at room temperature for all the examined modifications, reveal a poor conductivity for this class of materials.

We present the mean spectral energy distribution (SED) of a sample of optically selected quasars (QSOs) at redshifts of $1 \le z \le 5$. To derive it, we exploit photometric information from SDSS, UKIDSS, and WISE surveys in combination with a stacking analysis of \textit{Herschel}, \textit{AKARI}, and \textit{Planck} maps at the location of the QSOs. The near-UV and optical parts of the reconstructed mean rest-frame SED are similar to those found in other studies. However, the SED shows an excess at 1-2 $\mu$m (when compared to the aforementioned SEDs normalized in the near-UV) and a prominent bump around 4-6 $\mu$m, followed by a decrease out to $\sim 20 \,\mu$m and a subsequent far-IR bump. From the fitted SEDs we estimate the average active galactic nuclei (AGN) luminosity $L_{\rm AGN}$ and star formation rate (SFR) as function of cosmic time, finding typical $L_{\rm AGN} \sim 10^{46} - 10^{47}$ erg/s and SFR $\sim 50 - 1000\, M_{\odot}/$yr. We develop mid-IR based criteria to split the QSO sample, finding that these allow us to move along the average relationship in the SFR vs. $L_{\rm AGN}$ diagram toward increasing AGN luminosities. When interpreted in the context of the in-situ coevolution scenario presented by Lapi et al. 2014, our results suggest that the detection in the far-IR band is an effective criterion to select objects where the star formation is on the verge of being affected by energy/momentum feedback from the central AGN., Comment: 23 pages, 9 figures, text updated to match the accepted version, ApJ in press

Magnification bias is a gravitational lensing effect that is normally overlooked because it is considered sub-optimal in comparison with the lensing shear. Thanks to the demonstrated optimal characteristics of the sub-millimetre galaxies (SMGs) for lensing analysis, in this work we were able to measure the magnification bias produced by a sample of QSOs acting as lenses, $0.2 13.6_{-0.4}^{+0.9}$, also confirmed by the mass density profile analysis ($M_{200c}\sim 10^{14} M_\odot$). These mass values indicate that we are observing the lensing effect of a cluster size halo signposted by the QSOs, as in previous studies of the magnification bias. Moreover, we were able to estimate the lensing convergence, $\kappa(\theta)$, for our magnification bias measurements down to a few kpcs. The derived mass density profile is in good agreement with a Navarro-Frank-White (NFW) profile. We also attempt an estimation of the halo mass and the concentration parameters, obtaining $M_{NFW}=1.0^{+0.4}_{-0.2}\times10^{14} M_\odot$ and $C=3.5_{-0.3}^{+0.5}$. This concentration value is rather low and it would indicate that the cluster halos around these QSOs are unrelaxed. However, higher concentration values still provides a compatible fit to the data., Comment: 30 pages, 8 figures, JCAP accepted

We describe the Fourier Transform Spectrometer (FTS) used for in-field testing of the POLARBEAR receiver, an experiment located in the Atacama Desert of Chile which measures the cosmic microwave background (CMB) polarization. The POLARBEAR-FTS (PB-FTS) is a Martin-Puplett interferometer designed to couple to the Huan Tran Telescope (HTT) on which the POLARBEAR receiver is installed. The PB-FTS measured the spectral response of the POLARBEAR receiver with signal-to-noise ratio (SNR) $>20$ for $\sim$69% of the focal plane detectors due to three features: a high throughput of 15.1 steradian cm$^{2}$, optimized optical coupling to the POLARBEAR optics using a custom designed output parabolic mirror, and a continuously modulated output polarizer. The PB-FTS parabolic mirror is designed to mimic the shape of the 2.5 m-diameter HTT primary reflector which allows for optimum optical coupling to the POLARBEAR receiver, reducing aberrations and systematics. One polarizing grid is placed at the output of the PB-FTS, and modulated via continuous rotation. This modulation allows for decomposition of the signal into different harmonics that can be used to probe potentially pernicious sources of systematic error in a polarization-sensitive instrument. The high throughput and continuous output polarizer modulation features are unique compared to other FTS calibrators used in the CMB field. In-field characterization of the POLARBEAR receiver was accomplished using the PB-FTS in April 2014. We discuss the design, construction, and operation of the PB-FTS and present the spectral characterization of the POLARBEAR receiver. We introduce future applications for the PB-FTS in the next-generation CMB experiment, the Simons Array.

The partial vibrational density of states (pVDOS) of ice Ih, as simulated by first principle modeling based on density functional theory (DFT), is utilized for computing the Cartesian components of the proton and oxygen quantum kinetic energies, Ke(H) and Ke(O) respectively, along and perpendicular to the hydrogen bonds. The DFT method was found to yield better agreement with deep inelastic neutron scattering (DINS) measurements than the semi empirical (SE) calculations. The advantage of using the DFT method is to enable us to resolve the external and internal phonon bands of the Cartesian projections of the pVDOS, and hence those of the lattice and vibrational components of Ke(H). We show that a pVDOS analysis is a valuable tool in testing scattering results of complex systems and suggest its potential to explore competing quantum effects, e.g. on Ke(H) across phase transitions in water.

Through a combined scanning tunneling microscopy (STM) and density functional theory (DFT) approach, we provide a full characterization of the different chemisorbed configurations of epitaxial graphene coexisting on the Ni(111) single crystal surface. Top-fcc, top-hcp, and top-bridge are found to be stable structures with comparable adsorption energy. By comparison of experiments and simulations, we solve an existing debate, unambiguously distinguishing these configurations in high-resolution STM images and characterizing the transitions between adjacent domains. Such transitions, described in detail through atomistic models, occur not only via sharp domain boundaries, with extended defects, but predominantly via smooth in-plane distortions of the carbon network, without disruption of the hexagonal rings, which are expected not to significantly affect electron transport.

Due to the low absorption coefficients of crystalline silicon-based solar cells, researchers have focused on non-silicon semiconductors with direct band gaps for the development of novel photovoltaic devices. In this study, we use density functional theory to model the electronic structure of a large database of candidates to identify materials with ideal properties for photovoltaic applications. The first screening is operated at the GGA level to select only materials with a sufficiently small direct band gap. We extracted twenty-seven candidates from an initial population of thousands, exhibiting GGA band gap in the range 0.5&ndash, 1 eV. More accurate calculations using a hybrid functional were performed on this subset. Based on this, we present a detailed first-principle investigation of the four optimal compounds, namely, TlBiS2, Ba3BiN, Ag2BaS2, and ZrSO. The direct band gap of these materials is between 1.1 and 2.26 eV. In the visible region, the absorption peaks that appear in the optical spectra for these compounds indicate high absorption intensity. Furthermore, we have investigated the structural and mechanical stability of these compounds and calculated electron effective masses. Based on in-depth analysis, we have identified TlBiS2, Ba3BiN, Ag2BaS2, and ZrSO as very promising candidates for photovoltaic applications.

We detect weak gravitational lensing of the cosmic microwave background at the location of the $WISE\ifmmode\times\else\texttimes\fi{}\mathrm{SuperCOSMOS}$ ($WISE\ifmmode\times\else\texttimes\fi{}\mathrm{SCOS}$) galaxies using the publicly available Planck lensing convergence map. By stacking the lensing convergence map at the position of 12.4 million galaxies in the redshift range $0.1\ensuremath{\le}z\ensuremath{\le}0.345$, we find the average mass of the galaxies to be ${\mathrm{M}}_{20{0}_{\mathrm{crit}}}=6.25\ifmmode\pm\else\textpm\fi{}0.6\ifmmode\times\else\texttimes\fi{}{10}^{12}\text{ }\text{ }{M}_{\ensuremath{\bigodot}}$. The null hypothesis of no lensing is rejected at a significance of $17\ensuremath{\sigma}$. We split the galaxy sample into three redshift slices, each containing $\ensuremath{\sim}4.1$ million objects, and obtain lensing masses in each slice of $4.18\ifmmode\pm\else\textpm\fi{}0.8$, $6.93\ifmmode\pm\else\textpm\fi{}0.9$, and $18.84\ifmmode\pm\else\textpm\fi{}1.2\ifmmode\times\else\texttimes\fi{}{10}^{12}\text{ }\text{ }{M}_{\ensuremath{\bigodot}}$. Our results suggest a redshift evolution of the galaxy sample masses, but this apparent increase might be due to the preferential selection of intrinsically luminous sources at high redshifts. The recovered mass of the stacked sample is reduced by 28% when we remove the galaxies in the vicinity of galaxy clusters with mass ${\mathrm{M}}_{20{0}_{\mathrm{crit}}}=2\ifmmode\times\else\texttimes\fi{}{10}^{14}\text{ }\text{ }{M}_{\ensuremath{\bigodot}}$. We forecast that upcoming CMB surveys can achieve 5% galaxy mass constraints over sets of 12.4 million galaxies with ${\mathrm{M}}_{20{0}_{\mathrm{crit}}}=1\ifmmode\times\else\texttimes\fi{}{10}^{12}\text{ }\text{ }{M}_{\ensuremath{\bigodot}}$ at $z=1$.

著者人数: 48名 (所属. 宇宙航空研究開発機構宇宙科学研究所(JAXA)(ISAS): 羽澄, 昌史), Number of authors: 48 (Affiliation. Institute of Space and Astronautical Science, Japan Aerospace Exploration Agency(JAXA)(ISAS): Hazumi, Masashi), Accepted: 2019-09-26, 資料番号: SA1190160000