97 research outputs found

    Validierung eines Messinstruments zur Erfassung Organisationaler Unterstützung [Poster]

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    Stroppa C, Woschée RM, Maier GW. Validierung eines Messinstruments zur Erfassung Organisationaler Unterstützung [Poster]. Presented at the 47. Kongress der DGPs, Bremen

    2D hybrid CrCl2(N2C4H4)2with tunable ferromagnetic half-metallicity

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    Two-dimensional ferromagnetic (2D FM) half-metal holds great potential for quantum magnetoelectronics and spintronic devices. Here, using density functional calculations and magnetic pictures, we study the electronic structure and magnetic properties of the novel van der Waals (vdW) metal-organic framework (MOF), CrCl2(N2C4H4)2,i.e.CrCl2(pyrazine)2. Our results show that CrCl2(pyrazine)2is a 2D FM half-metal, having a strong intralayer FM coupling but a much weak interlayer one due to the vdW spacing. Its spin-polarized conduction bands are formed by the pyrazine molecular orbitals and are polarized by the robust Cr3+local spin = 3/2. These results agree with the recent experiments [Pedersenet al., Nature Chemistry, 2018, 10, 1056]. More interestingly, CrCl2(pyrazine)2monolayer has a strong doping tunability of the FM half-metallicity, and the FM coupling would be significantly enhanced by electron doping. Our work highlights a vital role of the organic ligand and suggests that vdW MOF is also worth exploration for new 2D magnetic materials

    On the Problem of Notation in Mixed Type Composition: From the Experience of Marco Stroppa

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    The evolutionary processes in the field of musical notation, which characterize the second half of the 20th century, reflected the main trend in the individualization of styles. The large-scale development of new instrumental techniques and technologies for synthesis and electronic sound processing stimulated the further development of a musical notation system as one of the means of visualizing a musical idea. Marco Stroppa, one of the leading composers of modern Europe, made significant developments in the field of graphic fixation of both new timbres and various aspects of the interaction of acoustic and electronic instruments within the framework of a mixed type composition. The interpenetration of the techniques of sound synthesis and instrumental writing as a special subject of Stroppa’s interest is reflected not only in his musical work, but also in his texts. The musicological literature in Russian about Stroppa is represented by the only article by the author of this publication, in which, for the first time, a number of aspects of Stroppa’s compositional method were analyzed using the example of the triptych “Traiettoria” for piano and computer-generated sounds, and the history of the birth of the piece was recreated. This publication focuses on the problem of notation in a mixed type composition and introduces into scientific use Stroppa’s compositional developments, implemented by him in the score “Traiettoria… deviate”, the first part of the “Traiettoria” cycle. The symbolic graphics of electronic sounds (“sound ‘objects’”) are considered, based on the composer’s commentary, such essential concepts for his workshop as a sound complex-“code”, temporal and frequency “staves” are characterized, examples of dynamic levels notation, pitch indication are presented as well as the schemes of the spatial disposition of the “synthetic orchestra” — a complex of multiple sound sources that organize the “spatial polyphony” of the piece

    Lone-Pair-Electron-Driven Ionic Displacements in a Ferroelectric Metal–Organic Hybrid

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    A displacive-type mechanism, which accounts for the occurrence of ferroelectricity in most inorganic ferroelectrics, is rarely found in molecule-based ferroelectrics. Its role is often covered by the predominant order–disorder one. Herein, we report a lone-pair-electron-driven displacive-type ferroelectric organic–inorganic hybrid compound, [H2dmdap]­[SbCl5] (1; dmdap = N,N-dimethyl-1,3-diaminopropane). The structure of 1 features a typical zigzag chain of [SbCl5]∞ containing cis-connected anionic octahedra. The compound undergoes a second-order paraelectric–ferroelectric phase transition at 143 K (P21/c ↔ Pc) with a saturation polarization of 1.36 μC·cm–2 and a coercive field of 3.5 kV·cm–1 at 119 K. Theoretical study discloses the ferroelectricity mainly originating from the relative displacements of the Sb and Cl ions in the crystal lattice, which are driven by the 5s2 lone-pair electrons of the SbIII center. Furthermore, on the basis of analysis, possible routes are suggested to enhance ferroelectric polarization in this class of compounds

    Chirality-induced spin texture switching in twisted bilayer graphene

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    The interlayer van der Waals interaction in twisted bilayer graphene (tBLG) induces both in-plane and out-of-plane atomic displacements showing complex patterns that depend on the twist angle. In particular, for small twist angles, within each graphene layer, the relaxations give rise to a vortexlike displacement pattern which is known to affect the dispersion of the flat bands. Here, we focus on yet another structural property, the chirality of the twisted bilayer. We perform first-principles calculations based on density functional theory to investigate the properties induced by twist chirality in both real and momentum space. In real space, we study the interplay between twist chirality and atomic relaxation patterns. In momentum space, we investigate the spin textures around the K points of the Brillouin zone, showing that alternating vortexlike textures are correlated with the chirality of tBLG. Interestingly, the helicity of each vortex is inverted by changing the chirality while the different twist angles also modify the spin textures. We discuss the origin of the spin textures by calculating the layer weights and using plot regression models

    Cubic and tetragonal perovskites from the random phase approximation

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    Evaluating many-body correlation effects beyond the commonly applied local or semilocal density functionals has received tremendous attention over the past few years. Using the random phase approximation to describe the correlation energy combined with the exact exchange energy, we have investigated 20 cubic ABO3-type perovskites and three prototypical ferroelectric (tetragonal) perovskites. A quantitative analysis and comparison of the performance of various local and semilocal exchange-correlation functionals shows that the inclusion of dynamical correlation effects allows for an excellent account of the structure and energetics of complex ABO3-type oxides

    MATREX: DCU machine translation system for IWSLT 2006

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    In this paper, we give a description of the machine translation system developed at DCU that was used for our first participation in the evaluation campaign of the International Workshop on Spoken Language Translation (2006). This system combines two types of approaches. First, we use an EBMT approach to collect aligned chunks based on two steps: deterministic chunking of both sides and chunk alignment. We use several chunking and alignment strategies. We also extract SMT-style aligned phrases, and the two types of resources are combined. We participated in the Open Data Track for the following translation directions: Arabic-English and Italian-English, for which we translated both the single-best ASR hypotheses and the text input. We report the results of the system for the provided evaluation sets

    Ultrasound biomicroscopy and evaluation of the feline iridocorneal angle

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    Purpose Identify qualitative features and quantitative parameters of the iridocorneal angle in healthy cats using ultrasound biomicroscopy (UBM). Methods Eight cats for a total of 16 eyes, admitted at the Veterinary Teaching Hospital of the University of Camerino for routine procedures were included in this study. All cats included were free from ophthalmic diseases, had a normal intraocular pressure (IOP) pressure and did not undergo pharmacological therapy potentially affecting the IOP. Images and measurements were obtained from all cats using ACCUTOME PLUS UBM device after sedation and topical anesthesia. The following measurements were obtained: HICA (height iridocornel angle), DICA (depth iridocorneal angle), ICA (iridocorneal angle area) e HAC (height anterior chamber). All the data obtained by three sequential measurements from each eye were summarized in mean and standard deviation and subjected to omoscedasticity analysis using Cochrane test. Results In all cats, the UBM examination allowed a full evaluation of the cornea and the scleral corneal junction, the iris, the crystalline and the drainage angle. Mean HICA was 1.43 ± 0.15 mm (C=0.30, α=0.01), mean DICA was 3.05 ± 0.27 mm (C=0.14, α=0.01), mean ICA was 1.83 ± 0.28 mm2 (C=0.28, α=0.01), mean HAC was 3.47 ± 0.12 mm (C=0.24, α=0.01). Conclusion Despite the small sample size, measured data were statistically homogeneous in the population studied. UBM is an easy-to-use method that can be used to study the iridocorneal angle in cats. To the author knowledge, this study provided the first in vivo UBM evaluation in healthy cats

    Comparing rule-based and data-driven approaches to Spanish-to-Basque machine translation

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    In this paper, we compare the rule-based and data-driven approaches in the context of Spanish-to-Basque Machine Translation. The rule-based system we consider has been developed specifically for Spanish-to-Basque machine translation, and is tuned to this language pair. On the contrary, the data-driven system we use is generic, and has not been specifically designed to deal with Basque. Spanish-to-Basque Machine Translation is a challenge for data-driven approaches for at least two reasons. First, there is lack of bilingual data on which a data-driven MT system can be trained. Second, Basque is a morphologically-rich agglutinative language and translating to Basque requires a huge generation of morphological information, a difficult task for a generic system not specifically tuned to Basque. We present the results of a series of experiments, obtained on two different corpora, one being “in-domain” and the other one “out-of-domain” with respect to the data-driven system. We show that n-gram based automatic evaluation and edit-distance-based human evaluation yield two different sets of results. According to BLEU, the data-driven system outperforms the rule-based system on the in-domain data, while according to the human evaluation, the rule-based approach achieves higher scores for both corpora

    Anomalous Hall effect in antiferromagnetic/nonmagnetic interfaces

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    We report a combined theoretical and experimental investigation of magnetic proximity and Hall transport in Pt/Cr bilayers. Density-functional theory indicates that interfacial magnetic moments can be induced in the Pt layer and a strong magnetocrystalline anisotropy with an out-of-plane easy axis arises in the antiferromagnet. A signal ascribed to the anomalous Hall effect is detected and associated to the interface between Pt and Cr layers. We discuss how this effect originates from the Berry curvature of the electronic structure at the interface and the correlation with the character of the proximity-induced magnetic moments
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