5,613 research outputs found

    Strong 3p -T1u Hybridization in Ar@C60

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    Multilayers of fullerenes with and without endohedral Ar units, C60 and Ar@C60, were investigated by photoemission and density functional theory. The stoichiometry and the endohedral nature of Ar is checked by x-ray photoelectron spectroscopy and x-ray photoelectron diffraction. Valence band ultraviolet photoemission spectra show a strong hybridisation of the Ar 3p valence shell with the 6T1u molecular orbital of C60. A hybridisation gap of 1.6 +/- 0.2 eV is found. This is in agreement with density functional theory (DFT) that predicts 1.47 eV, and indicates Ar@C60 to be a noble gas compound with a strong coupling between Ar and the C60 cage. No giant Ar photoemission cross section as predicted for the gas phase in [Phys. Rev. Lett. 99, 243003 (2007)] was found

    Transition state method and Wannier functions

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    We propose a computational scheme for materials where standard Local Density Approximation (LDA) fails to produce a satisfactory description of excitation energies. The method uses Slater's "transition state" approximation and Wannier functions basis set. We define a correction to LDA functional in such a way that its variation produces one-electron energies for Wannier functions equal to the energies obtained in "transition state" constrained LDA calculations. In the result eigenvalues of the proposed functional could be interpreted as excitation energies of the system under consideration. The method was applied to MgO, Si, NiO and BaBiO3_3 and gave an improved agreement with experimental data of energy gap values comparing with LDA.Comment: 13 pages, 6 figures, 1 tabl

    Violation of the isotropic-â„“\ell approximation in overdoped La_{2-x}Sr_xCuO_4

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    Magnetotransport measurements on the overdoped cuprate La_{1.7}Sr_{0.3}CuO_4 are fitted using the Ong construction and band parameters inferred from angle-resolved photoemission. Within a band picture, the low temperature Hall data can only be fitted satisfactorily by invoking strong basal-plane anisotropy in the mean-free-path â„“\ell. This violation of the isotropic-â„“\ell approximation supports a picture of dominant small-angle elastic scattering in cuprates due to out-of-plane substitutional disorder. We show that both band anisotropy and anisotropy in the elastic scattering channel strongly renormalize the Hall coefficient in overdoped La_{2-x}Sr_xCuO_4 over a wide doping and temperature range.Comment: 4 pages, 4 figure

    Pressure-induced enhancement of superconductivity and superconducting-superconducting transition in CaC_6\_6

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    We measured the electrical resistivity, ϱ(T)\varrho(T), of superconducting CaC_6\_6 at ambient and high pressure up to 16 GPa. For P≤P \leq8 GPa, we found a large increase of T_cT\_c with pressure from 11.5 up to 15.1 K. At 8 GPa, T_cT\_c drops and levels off at 5 K above 10 GPa. Correspondingly, the residual ϱ\varrho increases by ≈\approx 200 times and the ϱ(T)\varrho(T) behavior becomes flat. The recovery of the pristine behavior after depressurization is suggestive of a phase transition at 8 GPa between two superconducting phases with good and bad metallic properties, the latter with a lower T_cT\_c and more static disorder

    Motion plan changes predictably in dyadic reaching

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    Parents can effortlessly assist their child to walk, but the mechanism behind such physical coordination is still unknown. Studies have suggested that physical coordination is achieved by interacting humans who update their movement or motion plan in response to the partner's behaviour. Here, we tested rigidly coupled pairs in a joint reaching task to observe such changes in the partners' motion plans. However, the joint reaching movements were surprisingly consistent across different trials. A computational model that we developed demonstrated that the two partners had a distinct motion plan, which did not change with time. These results suggest that rigidly coupled pairs accomplish joint reaching movements by relying on a pre-programmed motion plan that is independent of the partner's behaviour

    Fast magnetization reversal of nanoclusters in resonator

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    An effective method for ultrafast magnetization reversal of nanoclusters is suggested. The method is based on coupling a nanocluster to a resonant electric circuit. This coupling causes the appearance of a magnetic feedback field acting on the cluster, which drastically shortens the magnetization reversal time. The influence of the resonator properties, nanocluster parameters, and external fields on the magnetization dynamics and reversal time is analyzed. The magnetization reversal time can be made many orders shorter than the natural relaxation time. The reversal is studied for both the cases of a single nanocluster as well as for the system of many nanoclusters interacting through dipole forces.Comment: latex file, 21 pages, 7 figure

    Effects of Fermi surface and superconducting gap structure in the field-rotational experiments: A possible explanation of the cusp-like singularity in YNi2_2B2_2C

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    We have studied the field-orientational dependence of zero-energy density of states (FODOS) for a series of systems with different Fermi surface and superconducting gap structures. Instead of phenomenological Doppler-shift method, we use an approximate analytical solution of Eilenberger equation together with self-consistent determination of order parameter and a variational treatment of vortex lattice. First, we compare zero-energy density of states (ZEDOS) when a magnetic field is applied in the nodal direction (νnode(0)\nu_{node}(0)) and in the antinodal direction (νanti(0)\nu_{anti}(0)), by taking account of the field-angle dependence of order parameter. As a result, we found that there exists a crossover magnetic field H∗H^* so that νanti(0)>νnode(0)\nu_{anti}(0) > \nu_{node}(0) for Hνanti(0)H \nu_{anti}(0) for H>H∗H > H^*, consistent with our previous analyses. Next, we showed that H∗H^* and the shape of FODOS are determined by contribution from the small part of Fermi surface where Fermi velocity is parallel to field-rotational plane. In particular, we found that H∗H^* is lowered and FODOS has broader minima, when a superconducting gap has point nodes, in contrast to the result of the Doppler-shift method. We also studied the effects of in-plane anisotropy of Fermi surface. We found that in-plane anisotropy of quasi-two dimensional Fermi surface sometimes becomes larger than the effects of Doppler-shift and can destroy the Doppler-shift predominant region. In particular, this tendency is strong in a multi-band system where superconducting coherence lengths are isotropic. Finally, we addressed the problem of cusp-like singularity in YNi2_2B2_2C and present a possible explanation of this phenomenon.Comment: 13pages, 23figure
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