674 research outputs found

    Origins of anomalous electronic structures of epitaxial graphene on silicon carbide

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    On the basis of first-principles calculations, we report that a novel interfacial atomic structure occurs between graphene and the surface of silicon carbide, destroying the Dirac point of graphene and opening a substantial energy gap there. In the calculated atomic structures, a quasi-periodic 6×66\times 6 domain pattern emerges out of a larger commensurate 63×63R306\sqrt{3}\times6\sqrt{3}R30^\circ periodic interfacial reconstruction, resolving a long standing experimental controversy on the periodicity of the interfacial superstructures. Our theoretical energy spectrum shows a gap and midgap states at the Dirac point of graphene, which are in excellent agreement with the recently-observed anomalous angle-resolved photoemission spectra. Beyond solving unexplained issues of epitaxial graphene, our atomistic study may provide a way to engineer the energy gaps of graphene on substrates.Comment: Additional references added; published version; 4 pages, 4 figure

    Energetics of large carbon clusters: Crossover from fullerenes to nanotubes

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    The energetics of large-sized fullerenes and carbon nanotubes is investigated through first-principles pseudopotential calculations for the carbon cluster of CN (60???N???540). The strain energy due to the presence of pentagons, in addition to the curvature effect, makes an important contribution to the energetics of the fullerenes and nanotubes and accurately describes the N dependence of the energy of the spherical fullerenes. Our model predicts that a nanotube of ??? 13 A in diameter [for example, a (9,9) or (10,10) tube] is energetically most stable among various single-walled nanotubes and fullerenes, consistent with many experimental observations.open252

    Formation, Manipulation, and Elasticity Measurement of a Nanometric Column of Water Molecules

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    Nanometer-sized columns of condensed water molecules are created by an atomic-resolution force microscope operated in ambient conditions. Unusual stepwise decrease of the force gradient associated with the thin water bridge in the tip-substrate gap is observed during its stretch, exhibiting regularity in step heights (~0.5 N/m) and plateau lengths (~1 nm). Such "quantized" elasticity is indicative of the atomic-scale stick-slip at the tip-water interface. A thermodynamic-instability-induced rupture of the water meniscus (5-nm long and 2.6-nm wide) is also found. This work opens a high-resolution study of the structure and the interface dynamics of a nanometric aqueous column.Comment: 4 pages, 3 figure

    Ab initio Pseudopotential Plane-wave Calculations of the Electronic Structure of YBa_2Cu_3O_7

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    We present an ab initio pseudopotential local density functional calculation for stoichiometric high-Tc cuprate YBa_2Cu_3O_7 using the plane-wave basis set. We have overcome well-known difficulties in applying pseudopotential methods to first-row elements, transition metals, and rare-earth materials by carefully generating norm-conserving pseudopotentials with excellent transferability and employing an extremely efficient iterative diagonalization scheme optimized for our purpose. The self-consistent band structures, the total and site-projected densities of states, the partial charges and their symmetry-decompositions, and some characteristic charge densities near E_f are presented. We compare our results with various existing (F)LAPW and (F)LMTO calculations and establish that the ab initio pseudopotential method is competitive with other methods in studying the electronic structure of such complicated materials as high-Tc cuprates. [8 postscript files in uuencoded compressed form]Comment: 14 pages, RevTeX v3.0, 8 figures (appended in postscript file), SNUTP 94-8

    Investigation of A1g phonons in YBa2Cu3O7 by means of LAPW atomic-force calculations

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    We report first-principles frozen-phonon calculations for the determination of the force-free geometry and the dynamical matrix of the five Raman-active A1g modes in YBa2Cu3O7. To establish the shape of the phonon potentials atomic forces are calculated within the LAPW method. Two different schemes - the local density approximation (LDA) and a generalized gradient approximation (GGA) - are employed for the treatment of electronic exchange and correlation effects. We find that in the case of LDA the resulting phonon frequencies show a deviation from experimental values of approximately -10%. Invoking GGA the frequency values are significantly improved and also the eigenvectors are in very good agreement with experimental findings.Comment: 15 page

    Targeted ablation and reorganization of the principal preplate neurons and their neuroblasts identified by golli promoter transgene expression in the neocortex of mice

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    The present study delineates the cellular responses of dorsal pallium to targeted genetic ablation of the principal preplate neurons of the neocortex. Ganciclovir treatment during prenatal development (E11–E13; where E is embryonic day) of mice selectively killed cells with shared S-phase vulnerability and targeted expression of a GPT [golli promoter transgene, linked to HSV-TK (herpes simplex virus-thymidine kinase), τ-eGFP (τ-enhanced green fluorescent protein) and lacZ (lacZ galactosidase) reporters] localized in preplate neurons. Morphogenetic fates of attacked neurons and neuroblasts, and their successors, were assessed by multiple labelling in time-series comparisons between ablated (HSV-TK+/0) and control (HSV-TK0/0) littermates. During ablation generation, neocortical growth was suppressed, and compensatory reorganization of non-GPT ventricular zone progenitors of dorsal pallium produced replacements for killed GPT neuroblasts. Replacement and surviving GPT neuroblasts then produced replacements for killed GPT neurons. Near-normal restoration of their complement delayed the settlement of GPT neurons into the reconstituted preplate, which curtailed the outgrowth of pioneer corticofugal axons. Based on this evidence, we conclude that specific cell killing in ablated mice can eliminate a major fraction of GPT neurons, with insignificant bystander killing. Also, replacement GPT neurons in ablated mice originate exclusively by proliferation from intermediate progenitor GPT neuroblasts, whose complement is maintained by non-GPT progenitors for inductive regulation of the total complement of GPT neurons. Finally, GPT neurons in both normal and ablated mice meet all morphogenetic criteria, including the ‘outside-in’ vertical gradient of settlement, presently used to identify principal preplate neurons. In ablated mice, delayed organization of these neurons desynchronizes and isolates developing neocortex from the rest of the brain, and permanently impairs its connectivity

    Zoonotic Diseases Report 2013

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    De Staat van zoönosen 2013 geeft een overzicht van de mate waarin zoönosen in Nederland voorkomen en ontwikkelingen daarin op de lange termijn. Zoönosen zijn infectieziekten die van dier op mens overgaan. Net als in voorgaande jaren waren er in 2013 geen uitgesproken veranderingen te zien in de mate waarin zoönosen in Nederland voorkomen. Zoals ieder jaar deden zich ook in 2013 enkele opmerkelijke voorvallen voor, zoals een geval van hazenpest. In deze jaarlijkse uitgave van het RIVM en de NVWA is het thema 'huis-, tuin- en keukenzoönosen': zoönosen die mensen kunnen oplopen in en om het huis. Opmerkelijke voorvallen Bij een haas afkomstig uit Noord-Limburg werd in mei 2013 hazenpest (tularemie) vastgesteld. Vervolgens werd ook bij een jongeman tularemie vastgesteld, die de infectie waarschijnlijk via een dazenbeet in een natuurgebied in Limburg had opgelopen. In 2011 is er mogelijk ook een in Nederland opgelopen geval van tularemie geweest, terwijl in de jaren daarvoor alleen sporadisch gevallen gemeld werden die in het buitenland waren opgelopen. Een andere opmerkelijke gebeurtenis betrof een uitbraak van Campylobacter onder bezoekers van een pluimveeslachthuis die waarschijnlijk via de lucht aan de ziekteverwekker waren blootgesteld. Negen mensen werden ziek. Ook blijkt uit een onderzoek naar de vossenlintworm (Echinococcus multilocularis) onder vossen en honden, dat deze lintworm bij vossen in Zuid-Limburg veel vaker voorkomt dan in voorgaande jaren. Thema: huis-, tuin- en keukenzoönosen Juist in en om het huis kunnen mensen worden blootgesteld aan allerlei zoönoseverwekkers. Duizenden mensen krijgen jaarlijks via hun huisdieren ringworm, een schimmelinfectie. Ook kunnen zoönosen afkomstig zijn van huisdieren of dieren die hun behoefte doen in de tuin. Verder komen voedselgerelateerde zoönosen aan de orde, waarbij aandacht is voor het feit dat zoönosen ook via groenten kunnen worden opgelopen.The Zoonotic Diseases Report is an annual publication of the Dutch National Institute for Public Health and the Environment (RIVM) and the Netherlands Food and Consumer Product Safety Authority (NVWA). The report provides an overview of the incidence of zoonotic diseases in the Netherlands, as well as the associated long-term trends. Zoonotic diseases or zoonoses are infectious diseases that can be transmitted from animals to humans. As in previous years, no marked changes were observed in 2013 in the incidence of zoonotic diseases in the Netherlands. Every year a number of notable incidents occurres. In 2013 this included a case of rabbit fever (tularemia). This year's edition of the Zoonotic Diseases Report focuses in particular on 'zoonoses close to home', i.e. the risk of contracting a zoonotic disease in or around the house. Notable incidents In May 2013, rabbit fever (tularemia) was discovered in a hare originating from the north of the province of Limburg. Tularemia was later also diagnosed in a young man, who had probably contracted the infection after having been bitten by a horse fly in a nature reserve in Limburg. Another person possibly contracted tularemia in the Netherlands in 2011. In previous years only incidental cases were reported, with the disease being contracted abroad. Another notable incident concerned an outbreak of Campylobacter infection among visitors to a poultry slaughterhouse who had probably been exposed to airborne pathogens. Nine people fell ill as a result of this outbreak. An investigation into the incidence of Echinococcus multilocularis in foxes and dogs showed that this tapeworm was much more common in foxes in the south of Limburg province than in previous years. 'Zoonoses close to home' Humans can be exposed to various zoonotic disease pathogens in or around the house. Every year, thousands of people contract dermatophytosis (a fungal infection commonly known in the Netherlands as 'ringworm') from their pets. Zoonotic diseases can also be contracted from pets or from animals defecating in the garden. The report also devotes attention to food-related zoonotic diseases, with a particular focus on the risk of contracting zoonoses through the consumption or handling of vegetables.NVW

    Magnetic Quantum Dot: A Magnetic Transmission Barrier and Resonator

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    We study the ballistic edge-channel transport in quantum wires with a magnetic quantum dot, which is formed by two different magnetic fields B^* and B_0 inside and outside the dot, respectively. We find that the electron states located near the dot and the scattering of edge channels by the dot strongly depend on whether B^* is parallel or antiparallel to B_0. For parallel fields, two-terminal conductance as a function of channel energy is quantized except for resonances, while, for antiparallel fields, it is not quantized and all channels can be completely reflected in some energy ranges. All these features are attributed to the characteristic magnetic confinements caused by nonuniform fields.Comment: 4 pages, 4 figures, to be published in Physical Review Letter
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