Elucidating the NuclearQuantum Dynamics of Intramolecular Double Hydrogen Transfer in Porphycene

We address the double hydrogen transfer (DHT) dynamics of the porphycene molecule: A complex paradigmatic system where the making and breaking of H-bonds in a highly anharmonic potential energy surface requires a quantum mechanical treatment not only of the electrons, but also of the nuclei. We combine density-functional theory calculations, employing hybrid functionals and van der Waals corrections, with recently proposed and optimized path-integral ring-polymer methods for the approximation of quantum vibrational spectra and reaction rates. Our full-dimensional ring-polymer instanton simulations show that below 100 K the concerted DHT tunneling pathway dominates, but between 100 K and 300 K there is a competition between concerted and stepwise pathways when nuclear quantum effects are included. We obtain ground-state reaction rates of $2.19 \times 10^{11} \mathrm{s}^{-1}$ at 150 K and $0.63 \times 10^{11} \mathrm{s}^{-1}$ at 100 K, in good agreement with experiment. We also reproduce the puzzling N-H stretching band of porphycene with very good accuracy from thermostatted ring-polymer molecular dynamics simulations. The position and lineshape of this peak, centered at around 2600 cm$^{-1}$ and spanning 750 cm$^{-1}$, stems from a combination of very strong H-bonds, the coupling to low-frequency modes, and the access to $cis$-like isomeric conformations, which cannot be appropriately captured with classical-nuclei dynamics. These results verify the appropriateness of our general theoretical approach and provide a framework for a deeper physical understanding of hydrogen transfer dynamics in complex systems

Inhomogeneous electronic structure probed by spin-echo experiments in the electron doped high-Tc superconductor Pr_{1.85}Ce_{0.15}CuO_{4-y}

63Cu nuclear magnetic resonance (NMR) spin-echo decay rate (T_2^{-1}) measurements are reported for the normal and superconducting states of a single crystal of Pr_{1.85}Ce_{0.15}CuO_{4-y} (PCCO) in a magnetic field B_0=9T over the temperature range 2K<T<200K. The spin-echo decay rate is temperature-dependent for T<55K, and has a substantial dependence on the radio frequency (rf) pulse parameters below T~25K. This dependence indicates that T_2^{-1} is strongly effected by a local magnetic field distribution that can be modified by the rf pulses, including ones that are not at the nuclear Larmor frequency. The low-temperature results are consistent with the formation of a static inhomogeneous electronic structure that couples to the rf fields of the pulses.Comment: 4 pages, 4 figure

Phase diagram of YBa2_2Cu3_3O7−y_{7-y} at T<<Tc_c based on Cu(2) transverse nuclear relaxation

Two maxima in transverse relaxation rate of Cu(2) nuclei in YBa$_2$Cu$_3$O$_{7-y}$ are observed, at T = 35 K and T = 47 K. Comparison of the $^{63}$Cu(2) and $^{65}$Cu(2) rates at T = 47 K indicates the magnetic character of relaxation. The enhancement at T = 47 K of fluctuating local magnetic fields perpendicular to the CuO$_2$ planes is connected with the critical fluctuations of orbital currents. Maximum at T = 35 K is connected with the appearance of inhomogeneous supeconducting phase. Together with data published to date, our experimental results allow to suggest a qualitatively new phase diagram of the superconducting phase.Comment: 4 LaTEX pages + 3 figures in *.ps forma

High-resolution microwave frequency dissemination on an 86-km urban optical link

We report the first demonstration of a long-distance ultra stable frequency dissemination in the microwave range. A 9.15 GHz signal is transferred through a 86-km urban optical link with a fractional frequency stability of 1.3x10-15 at 1 s integration time and below 10-18 at one day. The optical link phase noise compensation is performed with a round-trip method. To achieve such a result we implement light polarisation scrambling and dispersion compensation. This link outperforms all the previous radiofrequency links and compares well with recently demonstrated full optical links.Comment: 11 pages, 5 figure

Stripe order, depinning, and fluctuations in La1.875_{1.875}Ba0.125_{0.125}CuO4_{4} and La1.875_{1.875}Ba0.075_{0.075}Sr0.050_{0.050}CuO4_{4}

We present a neutron scattering study of stripe correlations measured on a single crystal of La$_{1.875}$Ba$_{0.125}$CuO$_{4}$. Within the low-temperature-tetragonal (LTT) phase, superlattice peaks indicative of spin and charge stripe order are observed below 50 K. For excitation energies $\hbar\omega\le12$ meV, we have characterized the magnetic excitations that emerge from the incommensurate magnetic superlattice peaks. In the ordered state, these excitations are similar to spin waves. Following these excitations as a function of temperature, we find that there is relatively little change in the {\bf Q}-integrated dynamical spin susceptibility for $\hbar\omega\sim10$ meV as stripe order disappears and then as the structure transforms from LTT to the low-temperature-orthorhombic (LTO) phase. The {\bf Q}-integrated signal at lower energies changes more dramatically through these transitions, as it must in a transformation from an ordered to a disordered state. We argue that the continuous evolution through the transitions provides direct evidence that the incommensurate spin excitations in the disordered state are an indicator of dynamical charge stripes. An interesting feature of the thermal evolution is a variation in the incommensurability of the magnetic scattering. Similar behavior is observed in measurements on a single crystal of La$_{1.875}$Ba$_{0.075}$Sr$_{0.050}$CuO$_{4}$; maps of the scattered intensity in a region centered on the antiferromagnetic wave vector and measured at $\hbar\omega=4$ meV are well reproduced by a model of disordered stripes with a temperature-dependent mixture of stripe spacings. We discuss the relevance of our results to understanding the magnetic excitations in cuprate superconductors.Comment: 12 pages, 11 figures, 1 tabl

On the exciton binding energy in a quantum well

We consider a model describing the one-dimensional confinement of an exciton in a symmetrical, rectangular quantum-well structure and derive upper and lower bounds for the binding energy $E_b$ of the exciton. Based on these bounds, we study the dependence of $E_b$ on the width of the confining potential with a higher accuracy than previous reports. For an infinitely deep potential the binding energy varies as expected from $1 Ry$ at large widths to $4 Ry$ at small widths. For a finite potential, but without consideration of a mass mismatch or a dielectric mismatch, we substantiate earlier results that the binding energy approaches the value $1 Ry$ for both small and large widths, having a characteristic peak for some intermediate size of the slab. Taking the mismatch into account, this result will in general no longer be true. For the specific case of a $Ga_{1-x}Al_{x}As/GaAs/Ga_{1-x}Al_{x}As$ quantum-well structure, however, and in contrast to previous findings, the peak structure is shown to survive.Comment: 32 pages, ReVTeX, including 9 figure

Josephson Plasma in RuSr2GdCu2O8

Josephson plasma in RuSr$_{2}$GdCu$_{2}$O$_{8}$, Ru$_{1-x}$Sr$_{2}$GdCu$_{2+x}$O$_{8}$ (x = 0.3), and RuSr$_{2}$Eu$_{2-x}$Ce$_{x}$Cu$_{2}$O$_{10}$ (x = 0.5) compounds is investigated by the sphere resonance method. The Josephson plasma is observed in a low-frequency region (around 8.5 cm$^{-1}$ at T $\ll$ $T_{c}$) for ferromagnetic RuSr$_{2}$GdCu$_{2}$O$_{8}$, while it increases to 35 cm$^{-1}$ for non-ferromagnetic Ru$_{1-x}$Sr$_{2}$GdCu$_{2+x}$O$_{8}$ (x = 0.3), which represents a large reduction in the Josephson coupling at ferromagnetic RuO$_{2}$ block layers. The temperature dependence of the plasma does not shift to zero frequency ({\it i.e.} $j_{c}$ = 0) at low temperatures, indicating that there is no transition from the 0-phase to the $\pi$-phase in these compounds. The temperature dependence and the oscillator strength of the peak are different from those of other non-magnetic cuprates, and the origins of these anomalies are discussed.Comment: to appear in Phys. Rev.B Rapid Com

Faddeev calculations for the A=5,6 Lambda-Lambda hypernuclei

Faddev calculations are reported for Lambda-Lambda-5H, Lambda-Lambda-5He and Lambda-Lambda-6He in terms of two Lambda hyperons plus the respective nuclear clusters, using Lambda-Lambda central potentials considered in past non-Faddeev calculations of Lambda-Lambda-6He. The convergence with respect to the partial-wave expansion is studied, and comparison is made with some of these Lambda-Lambda hypernuclear calculations. The Lambda-Lambda Xi-N mixing effect is briefly discussed.Comment: submitted for publicatio

Measurement of the π−\pi^- decay width of Λ5^5_\LambdaHe

We have precisely measured $\Lambda \to p\pi^-$ decay width of \5LHe and demonstrated significantly larger $\alpha$ -$\Lambda$ overlap than expected from the central repulsion $\alpha$-$\Lambda$ potential, which is derived from YNG \Lambda$-nucleon interaction.Comment: 4 pages, 3 figure