665 research outputs found

    Electron correlation in C_(4N+2) carbon rings: aromatic vs. dimerized structures

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    The electronic structure of C_(4N+2) carbon rings exhibits competing many-body effects of Huckel aromaticity, second-order Jahn-Teller and Peierls instability at large sizes. This leads to possible ground state structures with aromatic, bond angle or bond length alternated geometry. Highly accurate quantum Monte Carlo results indicate the existence of a crossover between C_10 and C_14 from bond angle to bond length alternation. The aromatic isomer is always a transition state. The driving mechanism is the second-order Jahn-Teller effect which keeps the gap open at all sizes.Comment: Submitted for publication: 4 pages, 3 figures. Corrected figure

    The non-indigenous Paranthura japonica Richardson, 1909 in the Mediterranean Sea: travelling with shellfish?

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    An anthurid isopod new to the Mediterranean Sea has recently been observed in samples from three localities of the Italian coast: the Lagoon of Venice (North Adriatic Sea), La Spezia (Ligurian Sea) and Olbia (Sardinia, Tyrrhenian Sea). The specimens collected showed strong affinity to a species originally described from the NW Pacific Ocean: Paranthura japonica Richardson, 1909. The comparison with specimens collected from the Bay of Arcachon (Atlantic coast of France), where P. japonica had been recently reported as non-indigenous, confirmed the identity of the species. This paper reports the most relevant morphological details of the Italian specimens, data on the current distribution of the species and a discussion on the pathways responsible for its introduction. The available data suggest that the presence of this Pacific isopod in several regions of coastal Europe might be due to a series of aquaculture-mediated introduction events that occurred during the last decades of the 1900s. Since then, established populations of P. japonica, probably misidentified, remained unnoticed for a long time

    Unconventional Metallic Magnetism in LaCrSb{3}

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    Neutron-diffraction measurements in LaCrSb{3} show a coexistence of ferromagnetic and antiferromagnetic sublattices below Tc=126 K, with ordered moments of 1.65(4) and 0.49(4) Bohr magnetons per formula unit, respectively (T=10 K), and a spin reorientation transition at ~95 K. No clear peak or step was observed in the specific heat at Tc. Coexisting localized and itinerant spins are suggested.Comment: PRL, in pres

    Phase Inhomogeneity of the Itinerant Ferromagnet MnSi at High Pressures

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    The pressure induced quantum phase transition of the weakly itinerant ferromagnet MnSi is studied using zero-field 29Si^{29}Si NMR spectroscopy and relaxation. Below P1.2GPaP^*\approx 1.2GPa, the intensity of the signal and the nuclear spin-lattice relaxation is independent of pressure, even though the amplitude of the magnetization drops by 20% from the ambient pressure amplitude. For P>PP>P^*, the decreasing intensity within the experimentally detectable bandwidth signals the onset of an inhomogeneous phase that persists to the highest pressure measured, P1.75GPaP\ge 1.75GPa, which is well beyond the known critical pressure Pc=1.46GPaP_c=1.46GPa. Implications for the non-Fermi Liquid behavior observed for P>PcP>P_c are discussed.Comment: 4 pages, 4 figure

    K-edge X-ray absorption spectra in transition metal oxides beyond the single particle approximation: shake-up many body effects

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    The near edge structure (XANES) in K-edge X-ray absorption spectroscopy (XAS) is a widely used tool for studying electronic and local structure in materials. The precise interpretation of these spectra with the help of calculations is hence of prime importance, especially for the study of correlated materials which have a complicated electronic structure per se. The single particle approach, for example, has generally limited itself to the dominant dipolar cross-section. It has long been known however that effects beyond this approach should be taken into account, both due to the inadequacy of such calculations when compared to experiment and the presence of shake-up many-body satellites in core-level photoemission spectra of correlated materials. This effect should manifest itself in XANES spectra and the question is firstly how to account for it theoretically and secondly how to verify it experimentally. By using state-of-the-art first principles electronic structure calculations and 1s photoemission measurements we demonstrate that shake-up many-body effects are present in K-edge XAS dipolar spectra of NiO, CoO and CuO at all energy scales. We show that shake-up effects can be included in K-edge XAS spectra in a simple way by convoluting the single-particle first-principles calculations including core-hole effects with the 1s photoemission spectra. We thus describe all features appearing in the XAS dipolar cross-section of NiO and CoO and obtain a dramatic improvement with respect to the single-particle calculation in CuO. These materials being prototype correlated magnetic oxides, our work points to the presence of shake-up effects in K-edge XANES of most correlated transition metal compounds and shows how to account for them, paving the way to a precise understanding of their electronic structure.Comment: 6 pages, 4 picture

    Decay Constants of Heavy-Light Mesons

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    The decay constants of the heavy-light pseudoscalar mesons are studied in a high statistics run using the Wilson action at β=6.0\beta=6.0 and β=6.2\beta=6.2, and the clover action at β=6.0\beta=6.0. The systematics of O(a)O(a) discretisation errors are discussed. Our best estimates of the decay constants are: fDf_D = 218(9) MeV, fD/fDsf_D/f_{Ds} = 1.11(1) and we obtain preliminary values for fBf_B.Comment: at the Dallas Lattice Conference, October 1993. 3 pages in a single postscript file, uuencoded form. Rome Preprint 93/98

    High efficacy of onabotulinumtoxinA treatment in patients with comorbid migraine and depression: a meta-analysis

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    Background: Migraine and depression are highly prevalent and partly overlapping disorders that cause strong limitations in daily life. Patients tend to respond poorly to the therapies available for these diseases. OnabotulinumtoxinA has been proven to be an effective treatment for both migraine and depression. While many studies have addressed the effect of onabotulinumtoxinA in migraine or depression separately, a growing body of evidence suggests beneficial effects also for patients comorbid with migraine and depression. The current meta-analysis systematically investigates to what extent onabotulinumtoxinA is efficient in migraineurs with depression. Methods: A systematic literature search was performed based on PubMed, Scopus and Web of Science from the earliest date till October 30 th, 2020. Mean, standard deviation (SD) and sample size have been used to evaluate improvement in depressive symptoms and migraine using random-effects empirical Bayes model. Results: Our search retrieved 259 studies, eight of which met the inclusion criteria. OnabotulinumtoxinA injections administered to patients with both chronic migraine and major depressive disorder led to mean reduction of -8.94 points (CI [-10.04,-7.84], p < 0.01) in the BDI scale, of -5.90 points (CI [-9.92,-1.88], p < 0.01) in the BDI-II scale and of -6.19 points (CI [-9.52,-2.86], p < 0.01) in the PHQ-9 scale, when evaluating depressive symptoms. In the case of the migraine-related symptoms, we found mean reductions of -4.10 (CI [-7.31,-0.89], p = 0.01) points in the HIT6 scale, -32.05 (CI [-55.96,-8.14], p = 0.01) in the MIDAS scale, -1.7 (CI [-3.27,-0.13], p = 0.03) points in the VAS scale and of -6.27 (CI [-8.48,-4.07], p < 0.01) migraine episodes per month. Comorbid patients showed slightly better improvements in BDI, HIT6 scores and migraine frequency compared to monomorbid patients. The latter group manifested better results in MIDAS and VAS scores. Conclusion: Treatment with onabotulinumtoxinA leads to a significant reduction of disease severity of both chronic migraine and major depressive disorder in patients comorbid with both diseases. Comparative analyses suggest an equivalent strong effect in monomorbid and comorbid patients, with beneficial effects specifically seen for certain migraine features

    Carbon clusters near the crossover to fullerene stability

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    The thermodynamic stability of structural isomers of C24\mathrm{C}_{24}, C26\mathrm{C}_{26}, C28\mathrm{C}_{28} and C32\mathrm{C}_{32}, including fullerenes, is studied using density functional and quantum Monte Carlo methods. The energetic ordering of the different isomers depends sensitively on the treatment of electron correlation. Fixed-node diffusion quantum Monte Carlo calculations predict that a C24\mathrm{C}_{24} isomer is the smallest stable graphitic fragment and that the smallest stable fullerenes are the C26\mathrm{C}_{26} and C28\mathrm{C}_{28} clusters with C2v\mathrm{C}_{2v} and Td\mathrm{T}_{d} symmetry, respectively. These results support proposals that a C28\mathrm{C}_{28} solid could be synthesized by cluster deposition.Comment: 4 pages, includes 4 figures. For additional graphics, online paper and related information see http://www.tcm.phy.cam.ac.uk/~prck
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