The electronic and transport properties of a molecular junction studied by an integrated piecewise thermal equilibrium approach

An integrated piecewise thermal equilibrium approach based on the first-principles calculation method has been developed to calculate bias dependent electronic structures and current- and differential conductance-voltage characteristics of the gold-benzene-1,4-dithiol-gold molecular junction. The calculated currents and differential conductance have the same order of magnitude as experimental ones. An electron transfer was found between the two electrodes when a bias is applied, which renders the two electrodes to have different local electronic structures. It was also found that when Au 5d electrons were treated as core electrons the calculated currents were overestimated, which can be understood as an underestimate of the Au-S covalent bonding and consequently the contact potential barrier and the replacement of delocalized Au 5d carriers by more itinerant delocalized Au 6sp carriers in the electrodes

Site-selective 63^{63}Cu NMR study of the vortex cores of Tl2_{2}Ba2_{2}CuO6+δ_{6+\delta}

We report site-selective $^{63}$Cu NMR studies of the vortex core states of an overdoped Tl$_{2}$Ba$_{2}$CuO$_{6+\delta}$ with $T_{c}$ = 85 K. We observed a relatively high density of low-energy quasi-particle excitations at the vortex cores in a magnetic field of 7.4847 T along the c axis, in contrast to YBa$_{2}$Cu$_{3}$O$_{7-\delta}$.Comment: 5 pages, 6 figures, submitted to J. Phys. Chem. Solids (QuB2006, Tokai

KIC 4150611: a rare multi-eclipsing quintuple with a hybrid pulsator

We present the results of our analysis of KIC 4150611 (HD 181469) - an interesting, bright quintuple system that includes a hybrid $\delta$ Sct/$\gamma$ Dor pulsator. Four periods of eclipses - 94.2, 8.65, 1.52 and 1.43 d - have been observed by the Kepler satellite, and three point sources (A, B, and C) are seen in high angular resolution images. From spectroscopic observations made with the HIDES spectrograph attached to the 1.88-m telescope of the Okayama Astrophysical Observatory (OAO), for the first time we calculated radial velocities (RVs) of the component B - a pair of G-type stars - and combined them with Kepler photometry in order to obtain absolute physical parameters of this pair. We also managed to directly measure RVs of the pulsator, also for the first time. Additionally, we modelled the light curves of the 1.52 and 1.43-day pairs, and measured their eclipse timing variations (ETVs). We also performed relative astrometry and photometry of three sources seen on the images taken with the NIRC2 camera of the Keck II telescope. Finally, we compared our results with theoretical isochrones. The brightest component Aa is the hybrid pulsator, transited every 94.2 days by a pair of K/M-type stars (Ab1+Ab2), which themselves form a 1.52-day eclipsing binary. The components Ba and Bb are late G-type stars, forming another eclipsing pair with a 8.65 day period. Their masses and radii are $M_{Ba}=0.894\pm0.010$ M$_\odot$, $R_{Ba}=0.802\pm0.044$ R$_\odot$ for the primary, and $M_{Bb}=0.888\pm0.010$ M$_\odot$, $R_{Bb}=0.856\pm0.038$ R$_\odot$ for the secondary. The remaining period of 1.43 days is possibly related to a faint third star C, which itself is most likely a background object. The system's properties are well-represented by a 35 Myr isochrone. There are also hints of additional bodies in the system.Comment: 14 pages, 15 figures, 7 tables, to appear in A&A, abstract modified in order to fit the arXiv limi

Scattering of elastic waves by elastic spheres in a NaCl-type phononic crystal

Based on the formalism developed by Psarobas et al [Phys. Rev. B 62, 278(2000)], which using the multiple scattering theory to calculate properties of simple phononic crystals, we propose a very simple method to study the NaCl-type phononic crystal. The NaCl-type phononic crystal consists of two kinds of non-overlapping elastic spheres with different mass densities, $L\acute{a}me$ coefficients and radius following the same periodicity of the ions in the real NaCl crystal. We focus on the (001) surface, and view the crystal as a sequence of planes of spheres, each plane of spheres has identical 2D periodicity. We obtained the complex band structure of the infinite crystal associated with this plane, and also calculated the transmission, reflection and absorption coefficients for an elastic wave (longitudinal or transverse) incident, at any angle, on a slab of the crystal of finite thickness.Comment: 15 pages, 6 figure

Vortex State of Tl2_2Ba2_2CuO6+δ_{6+\delta} via 205^{205}Tl NMR at 2 Tesla

We report a $^{205}$Tl NMR study of vortex state for an aligned polycrystalline sample of an overdoped high-$T_c$ superconductor Tl$_2$Ba$_2$CuO$_{6+\delta}$ ($T_{c}\sim$85 K) with magnetic field 2 T along the c axis. We observed an imperfect vortex lattice, so-called Bragg glass at $T$=5 K, coexistence of vortex solid with liquid between 10 and 60 K, and vortex melting between 65 and 85 K. No evidence for local antiferromagnetic ordering at vortex cores was found for our sample.Comment: 4 pages with 5 figure

A Hierarchically-Organized Phase Diagram near a Quantum Critical Point in URu2Si2

A comprehensive transport study, as a function of both temperature and magnetic field in continuous magnetic fields up to 45 T reveals that URu2Si2 possesses all the essential hallmarks of quantum criticality at temperatures above 5.5 K and fields around 38 T, but then collapses into multiple low temperature phases in a hierarchically-organized phase diagram as the temperature is reduced. Although certain generic features of the phase diagram are very similar to those in the cuprates and heavy fermion superconductors, the existence of multiple ordered hysteretic phases near the field-tuned quantum critical point is presently unique to URu2Si2. This finding suggests the existence of many competing order parameters separated by small energy difference in URu2Si2.Comment: 6 pages, twocolum texts, 3 coloured figure included, submitted to PR