Crystal structure of solid Oxygen at high pressure and low temperature

Results of X-ray diffraction experiments on solid oxygen at low temperature and at pressures up to 10 GPa are presented.A careful sample preparation and annealing around 240 K allowed to obtain very good diffraction patterns in the orthorhombic delta-phase. This phase is stable at low temperature, in contrast to some recent data [Y. Akahama et al., Phys. Rev. B64, 054105 (2001)], and transforms with decreasing pressure into a monoclinic phase, which is identified as the low pressure alpha-phase. The discontinuous change of the lattice parameters, and the observed metastability of the alpha-phase increasing pressure suggest that the transition is of the first order.Comment: 4 pages with three figure

Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters

The known dichloride complexes [TiCl2L(O)2(OR)2] (type I: R = Me (1), n-Pr (2) and n-pentyl (3); L(OH)2(OR)2 = 1,3-dialkyloxy-p-tert-butylcalix[4]arene), together with the new complexes {[TiL(O)3(OR)]2(μ-Cl)2}·6MeCN (R = n-decyl (4·6MeCN)), and [Ti(NCMe)Cl(L(O)3(OR))]·MeCN (type II: R = Me, 5·MeCN) are reported. Attempts to prepare type II for R = n-Pr and n-pentyl using [TiCl4] resulted in the complexes {[TiL(O)3(On-propyl)]2(μ-Cl)(μ-OH)} 6·7MeCN and {[TiL(O)3(On-pentyl)]2(μ-Cl)(μ-OH)}·7.5MeCN (7·7.5MeCN), respectively; use of [TiCl4(THF)2] resulted in a co-crystallized THF ring-opened product [Ti(NCMe)(μ3-O)L(O)4TiCl(O(CH2)4Cl)]2-2[TiCl(NCMe)(L(O)3(On-Pr))]·11MeCN (8·11MeCN). The molecular structures of 2·2MeCN, 4·6MeCN, and 5·MeCN together with the hydrolysis products {[TiL(O)3(OR)]2(μ-Cl)(μ-OH)} (R = n-Pr 6·7MeCN; n-pentyl, 7·7.5MeCN, 9·9MeCN); R = n-decyl 10·8.5MeCN) and that of the ring opened product 8·11MeCN and the co-crystallized species [Ti2(OH)Cl(L(O)3(OR))][L(OH)2(OR)2]·2.85(C2H3N)·0.43(H2O) (R = n-pentyl, 11·2.85(C2H3N)·0.43(H2O)) are reported. Type I and II complexes have been screened for their ability to act as catalysts in the ring opening polymerization (ROP) of ϵ-caprolactone (ϵ-CL), δ-valerolactone (δ-VL), ω-pentadecalactone (ω-PDL) and rac-lactide (r-LA), both with and without benzyl alcohol present and either under N2 or in air. The copolymerization of ϵ-CL with δ-VL and with r-LA has also been investigated. For the ROP of ϵ-CL, all performed efficiently (>99% conversion) at 130 °C over 24 h both under N2 and in air, whilst over 1 h, for the type I complexes the trend was 3 > 2 > 1 but all were poor (≤12% conversion). By contrast, 5 over 1 h at 130 °C was highly active (85% conversion). At 80 °C, the activity trend followed the order 5 ≈ 4 > 3 > 2 > 1. For δ-VL, at 80 °C the activity trend 5 ≈ 4 > 1 > 2 > 3 was observed. ROP of the larger ω-PDL was only possible using 5 at 130 °C over 24 h with moderate activity (48% conversion). For r-LA, only low molecular weight products were obtained, whilst for the co-polymerization of ϵ-CL with δ-VL using 5, high activity was observed at 80 °C affording a polymer of molecular weight >23,000 Da and with equal incorporation of each monomer. In the case of ϵ-CL/r-LA co-polymerization using 5 either under N2 or air, the polymerization was more sluggish and only 65% conversion of CL was observed and the resultant co-polymer had 65:35 incorporation. Complex 5 could also be supported on silica, however this system was not as active as its homogeneous counterpart. Finally, the activity of these complexes is compared with that of three benchmark species: a di-phenolate Ti compound {TiCl2(2,2′-CH3CH[4,6-(t-Bu)2C6H2O]2)} (12) and a previously reported NO2-containing titanocalix[4]arene catalyst, namely cone-5,17-bis-tert-butyl-11,23-dinitro-25,27-dipropyloxy-26,28-dioxo-calix[4]arene titanium dichloride (13), as well as [Ti(Oi-Pr)4]; the parent calixarenes were also screened

Neutron Scattering Study of Crystal Field Energy Levels and Field Dependence of the Magnetic Order in Superconducting HoNi2B2C

Elastic and inelastic neutron scattering measurements have been carried out to investigate the magnetic properties of superconducting (Tc~8K) HoNi2B2C. The inelastic measurements reveal that the lowest two crystal field transitions out of the ground state occurat 11.28(3) and 16.00(2) meV, while the transition of 4.70(9) meV between these two levels is observed at elevated temperatures. The temperature dependence of the intensities of these transitions is consistent with both the ground state and these higher levels being magnetic doublets. The system becomes magnetically long range ordered below 8K, and since this ordering energy kTN ~ 0.69meV << 11.28meV the magnetic properties in the ordered phase are dominated by the ground-state spin dynamics only. The low temperature structure, which coexists with superconductivity, consists of ferromagnetic sheets of Ho{3+ moments in the a-b plane, with the sheets coupled antiferromagnetically along the c-axis. The magnetic state that initially forms on cooling, however, is dominated by an incommensurate spiral antiferromagnetic state along the c-axis, with wave vector qc ~0.054 A-1, in which these ferromagnetic sheets are canted from their low temperature antiparallel configuration by ~17 deg. The intensity for this spiral state reaches a maximum near the reentrant superconducting transition at ~5K; the spiral state then collapses at lower temperature in favor of the commensurate antiferromagnetic state. We have investigated the field dependence of the magnetic order at and above this reentrant superconducting transition. Initially the field rotates the powder particles to align the a-b plane along the field direction, demonstrating that the moments strongly prefer to lie within this plane due to the crystal field anisotropy. Upon subsequently increasing the field atComment: RevTex, 7 pages, 11 figures (available upon request); Physica

Optimal Energy Dissipation in Sliding Friction Simulations

Non-equilibrium molecular dynamics simulations, of crucial importance in sliding friction, are hampered by arbitrariness and uncertainties in the removal of the frictionally generated Joule heat. Building upon general pre-existing formulation, we implement a fully microscopic dissipation approach which, based on a parameter-free, non-Markovian, stochastic dynamics, absorbs Joule heat equivalently to a semi-infinite solid and harmonic substrate. As a test case, we investigate the stick-slip friction of a slider over a two-dimensional Lennard-Jones solid, comparing our virtually exact frictional results with approximate ones from commonly adopted dissipation schemes. Remarkably, the exact results can be closely reproduced by a standard Langevin dissipation scheme, once its parameters are determined according to a general and self-standing variational procedure

Phase diagram of the one-dimensional extended attractive Hubbard model for large nearest-neighbor repulsion

We consider the extended Hubbard model with attractive on-site interaction U and nearest-neighbor repulsions V. We construct an effective Hamiltonian H_{eff} for hopping t<<V and arbitrary U<0. Retaining the most important terms, H_{eff} can be mapped onto two XXZ models, solved by the Bethe ansatz. The quantum phase diagram shows two Luttinger liquid phases and a region of phase separation between them. For density n<0.422 and U<-4, singlet superconducting correlations dominate at large distances. For some parameters, the results are in qualitative agreement with experiments in BaKBiO.Comment: 6 pages, 3 figures, submitted to Phys. Rev.

Flux Phase as a Dynamic Jahn-Teller Phase: Berryonic Matter in the Cuprates?

There is considerable evidence for some form of charge ordering on the hole-doped stripes in the cuprates, mainly associated with the low-temperature tetragonal phase, but with some evidence for either charge density waves or a flux phase, which is a form of dynamic charge-density wave. These three states form a pseudospin triplet, demonstrating a close connection with the E X e dynamic Jahn-Teller effect, suggesting that the cuprates constitute a form of Berryonic matter. This in turn suggests a new model for the dynamic Jahn-Teller effect as a form of flux phase. A simple model of the Cu-O bond stretching phonons allows an estimate of electron-phonon coupling for these modes, explaining why the half breathing mode softens so much more than the full oxygen breathing mode. The anomalous properties of $O^{2-}$ provide a coupling (correlated hopping) which acts to stabilize density wave phases.Comment: Major Revisions: includes comparisons with specific cuprate phonon modes, 16 eps figures, revte

Search for Rare and Forbidden Dilepton Decays of the D+, Ds, and D0 Charmed Mesons

We report the results of a search for flavor-changing neutral current, lepton-flavor violating, and lepton-number violating decays of D+, Ds, and D0 mesons (and their antiparticles) into modes containing muons and electrons. Using data from Fermilab charm hadroproduction experiment E791, we examine the pi,l,l and K,l,l decay modes of D+ and Ds and the l+l- decay modes of D0. No evidence for any of these decays is found. Therefore, we present branching-fraction upper limits at 90% confidence level for the 24 decay modes examined. Eight of these modes have no previously reported limits, and fourteen are reported with significant improvements over previously published results.Comment: 12 pages, 3 figures, LaTeX, elsart.cls, epsf.sty, amsmath.sty Submitted to Physics Letters

Measurement of the form-factor ratios for D+ --> K* l nu

The form factor ratios rv=V(0)/A1(0), r2=A2(0)/A1(0) and r3=A3(0)/A1(0) in the decay D+ --> K* l nu, K* -->K-pi+ have been measured using data from charm hadroproduction experiment E791 at Fermilab. From 3034 (595) signal (background) events in the muon channel, we obtain rv=1.84+-0.11+-0.09, r2=0.75+-0.08+-0.09 and, as a first measurement of r3, we find 0.04+-0.33 +-0.29. The values of the form factor ratios rv and r2 measured for the muon channel are combined with the values of rv and r2 that we have measured in the electron channel. The combined E791 results for the muon and electron channels are rv=1.87+-0.08+-0.07 and r2=0.73+-0.06+-0.08.Comment: 9 pages + 3 figures ; submitted to PL

Differential cross sections, charge production asymmetry, and spin-density matrix elements for D*(2010) produced in 500 GeV/c pi^- nucleon interactions

We report differential cross sections for the production of D*(2010) produced in 500 GeV/c pi^- nucleon interactions from experiment E791 at Fermilab, as functions of Feynman-x (x_F) and transverse momentum squared (p_T^2). We also report the D* +/- charge asymmetry and spin-density matrix elements as functions of these variables. Investigation of the spin-density matrix elements shows no evidence of polarization. The average values of the spin alignment are \eta= 0.01 +- 0.02 and -0.01 +- 0.02 for leading and non-leading particles, respectively.Comment: LaTeX2e (elsart.cls). 13 pages, 6 figures (eps files). Submitted to Physics Letters

Electron Scattering From High-Momentum Neutrons in Deuterium

We report results from an experiment measuring the semi-inclusive reaction $d(e,e'p_s)$ where the proton $p_s$ is moving at a large angle relative to the momentum transfer. If we assume that the proton was a spectator to the reaction taking place on the neutron in deuterium, the initial state of that neutron can be inferred. This method, known as spectator tagging, can be used to study electron scattering from high-momentum (off-shell) neutrons in deuterium. The data were taken with a 5.765 GeV electron beam on a deuterium target in Jefferson Laboratory's Hall B, using the CLAS detector. A reduced cross section was extracted for different values of final-state missing mass $W^{*}$, backward proton momentum $\vec{p}_{s}$ and momentum transfer $Q^{2}$. The data are compared to a simple PWIA spectator model. A strong enhancement in the data observed at transverse kinematics is not reproduced by the PWIA model. This enhancement can likely be associated with the contribution of final state interactions (FSI) that were not incorporated into the model. A ``bound neutron structure function'' $F_{2n}^{eff}$ was extracted as a function of $W^{*}$ and the scaling variable $x^{*}$ at extreme backward kinematics, where effects of FSI appear to be smaller. For $p_{s}>400$ MeV/c, where the neutron is far off-shell, the model overestimates the value of $F_{2n}^{eff}$ in the region of $x^{*}$ between 0.25 and 0.6. A modification of the bound neutron structure function is one of possible effects that can cause the observed deviation.Comment: 33 pages RevTeX, 9 figures, to be submitted to Phys. Rev. C. Fixed 1 Referenc