Nonconventional screening of the Coulomb interaction in FexOy clusters: An ab-initio study

From microscopic point-dipole model calculations of the screening of the Coulomb interaction in non-polar systems by polarizable atoms, it is known that screening strongly depends on dimensionality. For example, in one dimensional systems the short range interaction is screened, while the long range interaction is anti-screened. This anti-screening is also observed in some zero dimensional structures, i.e. molecular systems. By means of ab-initio calculations in conjunction with the random-phase approximation (RPA) within the FLAPW method we study screening of the Coulomb interaction in FexOy clusters. For completeness these results are compared with their bulk counterpart magnetite. It appears that the onsite Coulomb interaction is very well screened both in the clusters and bulk. On the other hand for the intersite Coulomb interaction the important observation is made that it is almost contant throughout the clusters, while for the bulk it is almost completely screened. More precisely and interestingly, in the clusters anti-screening is observed by means of ab-initio calculations

Correlation effects and orbital magnetism of Co clusters

Recent experiments on isolated Co clusters have shown huge orbital magnetic moments in comparison with their bulk and surface counterparts. These clusters hence provide the unique possibility to study the evolution of the orbital magnetic moment with respect to the cluster size and how competing interactions contribute to the quenching of orbital magnetism. We investigate here different theoretical methods to calculate the spin and orbital moments of Co clusters, and assess the performances of the methods in comparison with experiments. It is shown that density functional theory in conventional local density or generalized gradient approximations, or even with a hybrid functional, severely underestimates the orbital moment. As natural extensions/corrections we considered the orbital polarization correction, the LDA+U approximation as well as the LDA+DMFT method. Our theory shows that of the considered methods, only the LDA+DMFT method provides orbital moments in agreement with experiment, thus emphasizing the importance of dynamic correlations effects for determining fundamental magnetic properties of magnets in the nano-size regime

Quantum effective potential, electron transport and conformons in biopolymers

In the Kirchhoff model of a biopolymer, conformation dynamics can be described in terms of solitary waves, for certain special cross-section asymmetries. Applying this to the problem of electron transport, we show that the quantum effective potential arising due to the bends and twists of the polymer enables us to formalize and quantify the concept of a {\it conformon} that has been hypothesized in biology. Its connection to the soliton solution of the cubic nonlinear Schr\"{o}dinger equation emerges in a natural fashion.Comment: to appear in J. Phys.

Inverse Scattering Transform for the Camassa-Holm equation

An Inverse Scattering Method is developed for the Camassa-Holm equation. As an illustration of our approach the solutions corresponding to the reflectionless potentials are explicitly constructed in terms of the scattering data. The main difference with respect to the standard Inverse Scattering Transform lies in the fact that we have a weighted spectral problem. We therefore have to develop different asymptotic expansions.Comment: 17 pages, LaTe

Cation- and vacancy-ordering in Li_xCoO_2

Using a combination of first-principles total energies, a cluster expansion technique, and Monte Carlo simulations, we have studied the Li/Co ordering in LiCoO_2 and Li-vacancy/Co ordering in CoO_2. We find: (i) A ground state search of the space of substitutional cation configurations yields the (layered) CuPt structure as the lowest-energy state in the octahedral system LiCoO_2 (and CoO_2), in agreement with the experimentally observed phase. (ii) Finite temperature calculations predict that the solid-state order- disorder transitions for LiCoO_2 and CoO_2 occur at temperatures (~5100 K and ~4400 K, respectively) much higher than melting, thus making these transitions experimentally inaccessible. (iii) The energy of the reaction E(LiCoO_2) - E(CoO_2) - E(Li) gives the average battery voltage V of a Li_xCoO_2/Li cell. Searching the space of configurations for large average voltages, we find that CuPt (a monolayer superlattice) has a high voltage (V=3.78 V), but that this could be increased by cation randomization (V=3.99 V), partial disordering (V=3.86 V), or by forming a 2-layer Li_2Co_2O_4 superlattice along (V=4.90 V).Comment: 12 Pages, RevTeX galley format, 5 figures embedded using epsf Phys. Rev. B (in press, 1998

A Precision Measurement of pp Elastic Scattering Cross Sections at Intermediate Energies

We have measured differential cross sections for \pp elastic scattering with internal fiber targets in the recirculating beam of the proton synchrotron COSY. Measurements were made continuously during acceleration for projectile kinetic energies between 0.23 and 2.59 GeV in the angular range $30 \leq \theta_{c.m.} \leq 90$ deg. Details of the apparatus and the data analysis are given and the resulting excitation functions and angular distributions presented. The precision of each data point is typically better than 4%, and a relative normalization uncertainty of only 2.5% within an excitation function has been reached. The impact on phase shift analysis as well as upper bounds on possible resonant contributions in lower partial waves are discussed.Comment: 23 pages 29 figure

High resolution study of the Lambda p final state interaction in the reaction p + p -> K+ + (Lambda p)

The reaction pp -> K+ + (Lambda p) was measured at Tp=1.953 GeV and Theta = 0 deg with a high missing mass resolution in order to study the Lambda p final state interaction. The large final state enhancement near the Lambda p threshold can be described using the standard Jost-function approach. The singlet and triplet scattering lengths and effective ranges are deduced by fitting simultaneously the Lambda p invariant mass spectrum and the total cross section data of the free Lambda p scattering.Comment: submitted to Physics Letters B, 10 pages, 3 figure

Measurement of p + d -> 3He + eta in S(11) Resonance

We have measured the reaction p + d -> 3He + eta at a proton beam energy of 980 MeV, which is 88.5 MeV above threshold using the new ``germanium wall'' detector system. A missing--mass resolution of the detector system of 2.6% was achieved. The angular distribution of the meson is forward peaked. We found a total cross section of (573 +- 83(stat.) +- 69(syst.))nb. The excitation function for the present reaction is described by a Breit Wigner form with parameters from photoproduction.Comment: 8 pages, 2 figures, corrected typos in heade

Meson Production in p+d Reactions

The production of neutral and charged pions as well as eta mesons is studied in the Delta and N* resonance region, respectively. Heavy A=3 recoils were measured with the GEM detector. The differential cross sections covering the full angular range are compared with model calculations.Comment: 4 pages, latex, 4 figures, talk presented at the XVIIth European Conference on Few-Body Problems in Physics, Evora, Portugal, September 2000; to be published in Nucl. Phys.