362 research outputs found

    Electronic Structure of the Complex Hydride NaAlH4

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    Density functional calculations of the electronic structure of the complex hydride NaAlH4 and the reference systems NaH and AlH3 are reported. We find a substantially ionic electronic structure for NaAlH4, which emphasizes the importance of solid state effects in this material. The relaxed hydrogen positions in NaAlH4 are in good agreement with recent experiment. The electronic structure of AlH3 is also ionic. Implications for the binding of complex hydrides are discussed.Comment: 4 pages, 5 figure

    Quantum dots and spin qubits in graphene

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    This is a review on graphene quantum dots and their use as a host for spin qubits. We discuss the advantages but also the challenges to use graphene quantum dots for spin qubits as compared to the more standard materials like GaAs. We start with an overview of this young and fascinating field and will then discuss gate-tunable quantum dots in detail. We calculate the bound states for three different quantum dot architectures where a bulk gap allows for confinement via electrostatic fields: (i) graphene nanoribbons with armchair boundary, (ii) a disc in single-layer graphene, and (iii) a disc in bilayer graphene. In order for graphene quantum dots to be useful in the context of spin qubits, one needs to find reliable ways to break the valley-degeneracy. This is achieved here, either by a specific termination of graphene in (i) or in (ii) and (iii) by a magnetic field, without the need of a specific boundary. We further discuss how to manipulate spin in these quantum dots and explain the mechanism of spin decoherence and relaxation caused by spin-orbit interaction in combination with electron-phonon coupling, and by hyperfine interaction with the nuclear spin system.Comment: 23 pages, 10 figures, topical review prepared for Nanotechnolog

    Edge States of Monolayer and Bilayer Graphene Nanoribbons

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    On the basis of tight-binding lattice model, the edge states of monolayer and bilayer graphene nanoribbons (GNRs) with different edge terminations are studied. The effects of edge-hopping modulation, spin-orbital coupling (SOC), and bias voltage on bilayer GNRs are discussed. We observe the following: (i) Some new extra edge states can be created by edge-hopping modulation for monolayer GNRs. (ii) Intralayer Rashba SOC plays a role in depressing the band energy gap EgE_g opened by intrinsic SOC for both monolayer and bilayer GNRs. An almost linear dependent relation, i.e., EgλRE_g\sim \lambda_R, is found. (iii) Although the bias voltage favors a bulk energy gap for bilayer graphene without intrinsic SOC, it tends to reduce the gap induced by intrinsic SOC. (iv) The topological phase of the quantum spin Hall effect can be destroyed completely by interlayer Rashba SOC for bilayer GNRs.Comment: 6 pages, 6 figure

    CaB_6: a new semiconducting material for spin electronics

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    Ferromagnetism was recently observed at unexpectedly high temperatures in La-doped CaB_6. The starting point of all theoretical proposals to explain this observation is a semimetallic electronic structure calculated for CaB_6 within the local density approximation. Here we report the results of parameter-free quasiparticle calculations of the single-particle excitation spectrum which show that CaB_6 is not a semimetal but a semiconductor with a band gap of 0.8 eV. Magnetism in La_xCa_{1-x}B_6 occurs just on the metallic side of a Mott transition in the La-induced impurity band.Comment: 4 pages, 1 postscript figur

    Retinotopic Mapping of Categorical and Coordinate Spatial Relation Processing in Early Visual Cortex

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    Spatial relations are commonly divided in two global classes. Categorical relations concern abstract relations which define areas of spatial equivalence, whereas coordinate relations are metric and concern exact distances. Categorical and coordinate relation processing are thought to rely on at least partially separate neurocognitive mechanisms, as reflected by differential lateralization patterns, in particular in the parietal cortex. In this study we address this textbook principle from a new angle. We studied retinotopic activation in early visual cortex, as a reflection of attentional distribution, in a spatial working memory task with either a categorical or a coordinate instruction. Participants were asked to memorize a dot position, with regard to a central cross, and to indicate whether a subsequent dot position matched the first dot position, either categorically (opposite quadrant of the cross) or coordinately (same distance to the centre of the cross). BOLD responses across the retinotopic maps of V1, V2, and V3 indicate that the spatial distribution of cortical activity was different for categorical and coordinate instructions throughout the retention interval; a more local focus was found during categorical processing, whereas focus was more global for coordinate processing. This effect was strongest for V3, approached significance in V2 and was absent in V1. Furthermore, during stimulus presentation the two instructions led to different levels of activation in V3 during stimulus encoding; a stronger increase in activity was found for categorical processing. Together this is the first demonstration that instructions for specific types of spatial relations may yield distinct attentional patterns which are already reflected in activity early in the visual cortex
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