Chiral molecule adsorption on helical polymers

We present a lattice model for helicity induction on an optically inactive polymer due to the adsorption of exogenous chiral amine molecules. The system is mapped onto a one-dimensional Ising model characterized by an on-site polymer helicity variable and an amine occupancy one. The equilibrium properties are analyzed at the limit of strong coupling between helicity induction and amine adsorption and that of non-interacting adsorbant molecules. We discuss our results in view of recent experimental results

Synthesis of H_xLi_1-xLaTiO₄ from quantitative solid-state reactions at room temperature

The layered perovskite HLaTiO4 reacts stoichiometrically with LiOH·H2O at room temperature to give targeted compositions in the series HxLi1-xLaTiO4. Remarkably, the Li+ and H+ ions are quantitatively exchanged in the solid state and this allows stoichiometric control of ion exchange for the first time in this important series of compounds

Furthering the understanding of silicate-substitution in α-tricalcium phosphate : an X-ray diffraction, X-ray fluorescence and solid-state nuclear magnetic resonance study

High-purity (SupT) and reagent-grade (ST), stoichiometric and silicate-containing α-tricalcium phosphate (α-TCP: ST0/SupT0 and Si-TCP x = 0.10: ST10/SupT10) were prepared by solid-state reaction based on the substitution mechanism Ca3(PO4)(2-x)(SiO4)x. Samples were determined to be phase pure by X-ray diffraction (XRD), and Rietveld analysis performed on the XRD data confirmed inclusion of Si in the α-TCP structure as determined by increases in unit cell parameters; particularly marked increases in the b-axis and β-angle were observed. X-ray fluorescence (XRF) confirmed the presence of expected levels of Si in Si-TCP compositions as well as significant levels of impurities (Mg, Al and Fe) present in all ST samples; SupT samples showed both expected levels of Si and a high degree of purity. Phosphorus (31P) magic-angle-spinning solid-state nuclear magnetic resonance (MAS NMR) measurements revealed that the high-purity reagents used in the synthesis of SupT0 can resolve the 12 expected peaks in the 31P spectrum of α-TCP compared to the low-purity ST0 that showed significant spectral line broadening; line broadening was also observed with the inclusion of Si which is indicative of induced structural disorder. Silicon (29Si) MAS NMR was also performed on both Si-TCP samples which revealed Q0 species of Si with additional Si Q1/Q2 species that may indicate a potential charge-balancing mechanism involving the inclusion of disilicate groups; additional Q4 Si species were also observed, but only for ST10. Heating and cooling rates were briefly investigated by 31P MAS NMR which showed no significant line broadening other than that associated with the emergence of β-TCP which was only realised with the reagent-grade sample ST0. This study provides an insight into the structural effects of Si-substitution in α-TCP and could provide a basis for understanding how substitution affects the physicochemical properties of the material

A Detailed Monte-Carlo Simulation for the Belle TOF System

We have developed a detailed Monte Carlo simulation program for the Belle TOF system. Based on GEANT simulation, it takes account of all physics processes in the TOF scintillation counters and readout electronics. The simulation reproduces very well the performance of the Belle TOF system, including the dE/dx response, the time walk effect, the time resolution, and the hit efficiency due to beam background. In this report, we will describe the Belle TOF simulation program in detail.Comment: To be submitted to NI

Ferromagnetism in the Strong Hybridization Regime of the Periodic Anderson Model

We determine exactly the ground state of the one-dimensional periodic Anderson model (PAM) in the strong hybridization regime. In this regime, the low energy sector of the PAM maps into an effective Hamiltonian that has a ferromagnetic ground state for any electron density between half and three quarters filling. This rigorous result proves the existence of a new magnetic state that was excluded in the previous analysis of the mixed valence systems.Comment: Accepted in Phys. Rev.

Simple Real-Space Picture of Nodeless and Nodal s-wave Gap Functions in Iron Pnictide Superconductors

We propose a simple way to parameterize the gap function in iron pnictides. The key idea is to use orbital representation, not band representation, and to assume real-space short-range pairing. Our parameterization reproduces fairly well the structure of gap function obtained in microscopic calculation. At the same time the present parameterization is simple enough to obtain an intuitive picture and to develop a phenomenological theory. We also discuss simplification of the treatment of the superconducting state.Comment: 4 page

Ce-L3-XAS study of the temperature dependence of the 4f occupancy in the Kondo system Ce2Rh3Al9

We have used temperature dependent x-ray absorption at the Ce-L3 edge to investigate the recently discovered Kondo compound Ce2Rh3Al9. The systematic changes of the spectral lineshape with decreasing temperature are analyzed and found to be related to a change in the $4f$ occupation number, n_f, as the system undergoes a transition into a Kondo state. The temperature dependence of $n_f$ indicates a characteristic temperature of 150K, which is clearly related with the high temperature anomaly observed in the magnetic susceptibility of the same system. The further anomaly observed in the resistivity of this system at low temperature (ca. 20K) has no effect on n_f and is thus not of Kondo origin.Comment: 7 pages, three figures, submitted to PR

Free energy and molecular dynamics calculations for the cubic-tetragonal phase transition in zirconia

The high-temperature cubic-tetragonal phase transition of pure stoichiometric zirconia is studied by molecular dynamics (MD) simulations and within the framework of the Landau theory of phase transformations. The interatomic forces are calculated using an empirical, self-consistent, orthogonal tight-binding (SC-TB) model, which includes atomic polarizabilities up to the quadrupolar level. A first set of standard MD calculations shows that, on increasing temperature, one particular vibrational frequency softens. The temperature evolution of the free energy surfaces around the phase transition is then studied with a second set of calculations. These combine the thermodynamic integration technique with constrained MD simulations. The results seem to support the thesis of a second-order phase transition but with unusual, very anharmonic behaviour above the transition temperature

Evolution of Hall coefficient in two-dimensional heavy fermion CeCoIn5_5

We report on the pressure dependence of the Hall coefficient $R_H$ in quasi-2D heavy fermion CeCoIn$_5$. At ambient pressure, below a temperature associated with the emergence of non-Fermi liquid properties, $R_H$ is anomalously enhanced. We found that the restoration of the Fermi liquid state with applied pressure leads to a gradual suppression of this dramatic enhancement. Moreover, the enhancement in $R_H$ was found to be confined to an intermediate temperature window, where inelastic electron-electron scattering is dominant. Our results strongly support the presence of cold and hot spots on the Fermi surface probably due to anisotropic scattering by antiferromagnetic fluctuations, which may also prove relevant for the debate on the anomalous normal-state properties of high-$T_c$ cuprates.Comment: 9 pages, 5 fiqures, to be published in J. Phys. Soc. Jp