Ab initio density functional investigation of B_24 cluster: Rings, Tubes, Planes, and Cages

We investigate the equilibrium geometries and the systematics of bonding in various isomers of a 24-atom boron cluster using Born-Oppenheimer molecular dynamics within the framework of density functional theory. The isomers studied are the rings, the convex and the quasiplanar structures, the tubes and, the closed structures. A staggered double-ring is found to be the most stable structure amongst the isomers studied. Our calculations reveal that a 24-atom boron cluster does form closed 3-d structures. All isomers show staggered arrangement of nearest neighbor atoms. Such a staggering facilitates $sp^2$ hybridization in boron cluster. A polarization of bonds between the peripheral atoms in the ring and the planar isomers is also seen. Finally, we discuss the fusion of two boron icosahedra. We find that the fusion occurs when the distance between the two icosahedra is less than a critical distance of about 6.5a.u.Comment: 8 pages, 9 figures in jpeg format Editorially approved for publication in Phys. Rev.

Schottky barrier heights at polar metal/semiconductor interfaces

Using a first-principle pseudopotential approach, we have investigated the Schottky barrier heights of abrupt Al/Ge, Al/GaAs, Al/AlAs, and Al/ZnSe (100) junctions, and their dependence on the semiconductor chemical composition and surface termination. A model based on linear-response theory is developed, which provides a simple, yet accurate description of the barrier-height variations with the chemical composition of the semiconductor. The larger barrier values found for the anion- than for the cation-terminated surfaces are explained in terms of the screened charge of the polar semiconductor surface and its image charge at the metal surface. Atomic scale computations show how the classical image charge concept, valid for charges placed at large distances from the metal, extends to distances shorter than the decay length of the metal-induced-gap states.Comment: REVTeX 4, 11 pages, 6 EPS figure

Multi-Site Observations of the DAV White Dwarf R 548

The pulsating DA white dwarf R 548 was observed for 46 h in October 1993 in an eight-site campaign. New peaks near the known doublets in the Fourier transform are found

Gaia white dwarfs within 40 pc I : spectroscopic observations of new candidates

We present a spectroscopic survey of 230 white dwarf candidates within 40 pc of the Sun from the William Herschel Telescope and Gran Telescopio Canarias. All candidates were selected from Gaia Data Release 2 (DR2) and in almost all cases had no prior spectroscopic classifications. We find a total of 191 confirmed white dwarfs and 39 main-sequence star contaminants. The majority of stellar remnants in the sample are relatively cool (〈Teff〉 = 6200 K), showing either hydrogen Balmer lines or a featureless spectrum, corresponding to 89 DA and 76 DC white dwarfs, respectively. We also recover two DBA white dwarfs and 9–10 magnetic remnants. We find two carbon-bearing DQ stars and 14 new metal-rich white dwarfs. This includes the possible detection of the first ultra-cool white dwarf with metal lines. We describe three DZ stars for which we find at least four different metal species, including one which is strongly Fe- and Ni-rich, indicative of the accretion of a planetesimal with core-Earth composition. We find one extremely massive (1.31 ± 0.01 M⊙) DA white dwarf showing weak Balmer lines, possibly indicating stellar magnetism. Another white dwarf shows strong Balmer line emission but no infrared excess, suggesting a low-mass sub-stellar companion. High spectroscopic completeness (>99%) has now been reached for Gaia DR2 sources within 40 pc sample, in the northern hemisphere (δ > 0 deg) and located on the white dwarf cooling track in the Hertzsprung-Russell diagram. A statistical study of the full northern sample is presented in a companion paper

Gaia white dwarfs within 40 pc – III. Spectroscopic observations of new candidates in the Southern hemisphere

We present a spectroscopic survey of 248 white dwarf candidates within 40 pc of the Sun; of these 244 are in the Southern hemisphere. Observations were performed mostly with the Very Large Telescope (X-Shooter) and Southern Astrophysical Research Telescope. Almost all candidates were selected from Gaia Data Release 3 (DR3). We find a total of 246 confirmed white dwarfs, 209 of which had no previously published spectra, and two main-sequence star contaminants. Of these, 100 white dwarfs display hydrogen Balmer lines, 69 have featureless spectra, and two show only neutral helium lines. Additionally, 14 white dwarfs display traces of carbon, while 37 have traces of other elements that are heavier than helium. We observe 35 magnetic white dwarfs through the detection of Zeeman splitting of their hydrogen Balmer or metal spectral lines. High spectroscopic completeness (> 97 per cent) has now been reached, such that we have 1058 confirmed Gaia DR3 white dwarfs out of 1083 candidates within 40 pc of the Sun at all declinations

Identification of common genetic risk variants for autism spectrum disorder

Autism spectrum disorder (ASD) is a highly heritable and heterogeneous group of neurodevelopmental phenotypes diagnosed in more than 1% of children. Common genetic variants contribute substantially to ASD susceptibility, but to date no individual variants have been robustly associated with ASD. With a marked sample-size increase from a unique Danish population resource, we report a genome-wide association meta-analysis of 18,381 individuals with ASD and 27,969 controls that identified five genome-wide-significant loci. Leveraging GWAS results from three phenotypes with significantly overlapping genetic architectures (schizophrenia, major depression, and educational attainment), we identified seven additional loci shared with other traits at equally strict significance levels. Dissecting the polygenic architecture, we found both quantitative and qualitative polygenic heterogeneity across ASD subtypes. These results highlight biological insights, particularly relating to neuronal function and corticogenesis, and establish that GWAS performed at scale will be much more productive in the near term in ASD.Peer reviewe

Integrative functional genomic analysis of human brain development and neuropsychiatric risks

To broaden our understanding of human neurodevelopment, we profiled transcriptomic and epigenomic landscapes across brain regions and/or cell types for the entire span of prenatal and postnatal development. Integrative analysis revealed temporal, regional, sex, and cell type-specific dynamics.We observed a global transcriptomic cup-shaped pattern, characterized by a late fetal transition associated with sharply decreased regional differences and changes in cellular composition and maturation, followed by a reversal in childhood-adolescence, and accompanied by epigenomic reorganizations. Analysis of gene coexpression modules revealed relationships with epigenomic regulation and neurodevelopmental processes. Genes with genetic associations to brain-based traits and neuropsychiatric disorders (including MEF2C, SATB2, SOX5, TCF4, and TSHZ3) converged in a small number of modules and distinct cell types, revealing insights into neurodevelopment and the genomic basis of neuropsychiatric risks