X-ray absorption spectroscopy on layered cobaltates Na_xCoO_2

Measurements of polarization and temperature dependent soft x-ray absorption have been performed on Na_xCoO_2 single crystals with x=0.4 and x=0.6. They show a deviation of the local trigonal symmetry of the CoO_6 octahedra, which is temperature independent in a temperature range between 25 K and 372 K. This deviation was found to be different for Co^{3+} and Co^{4+} sites. With the help of a cluster calculation we are able to interpret the Co L_{23}-edge absorption spectrum and find a doping dependent energy splitting between the t_{2g} and the e_g levels (10Dq) in Na_xCoO_2.Comment: 7 pages, 8 figure

Zn(O, S) layers for chalcoyprite solar cells sputtered from a single target

A simplified Cu(In, Ga)(S, Se)2/Zn(O, S)/ZnO:Al stack for chalcopyrite thin- film solar cells is proposed. In this stack the Zn(O, S) layer combines the roles of the traditional CdS buffer and undoped ZnO layers. It will be shown that Zn(O, S) films can be sputtered in argon atmosphere from a single mixed target without substrate heating. The photovoltaic performance of the simplified stack matches that of the conventional approach. Replacing the ZnO target with a ZnO/ZnS target may therefore be sufficient to omit the CdS buffer layer and avoid the associated complexity, safety and recycling issues, and to lower production cost

Hierarchical ZSM‐5 catalysts: The effect of different intracrystalline pore dimensions on catalyst deactivation behaviour in the MTO reaction

We present the effect of different combinations of intracrystalline pore systems in hierarchical ZSM‐5 zeolites on their performance as MTO catalysts. We prepared ZSM‐5 zeolites with additional intracrystalline mesoporous, intracrystalline macropores and a novel ZSM‐5 type zeolite with intracrystalline meso and macropores. The catalytic results showed that both used catalysts with mesopores and macropores exhibited three times longer catalyst lifetime compared to a conventional catalyst. However, TGA analysis of the deactivated catalysts showed much larger coke content in the mesoporous catalyst than in the macroporous catalyst. Consequently, macropores predominantly led to reduced coke formation rate while additional mesopores predominantly enhanced the resistance against deactivation by coke. Combining both intracrystalline meso and macropores in one catalyst lead to a tenfold increase in catalyst lifetime. Besides the effect on the catalyst lifetime there was also a strong effect of the additional pore systems on the selectivity of the catalysts. The catalysts containing mesopores showed reduced selectivity to short chain olefins and increased selectivity to larger hydrocarbons in comparison to the catalysts without a mesopores system

Self Consistent and Renormalized particle-particle RPA in a Schematic Model

The dynamical effects of ground state correlations for excitation energies and transition strengths near the superfluid phase transition are studied in the soluble two level pairing model, in the context of the particle-particle self consistent Random Phase Approximation (SCRPA). Exact results are well reproduced across the transition region, beyond the collapse of the standard particle-particle Random Phase Approximation. The effects of two-body correlation in the SCRPA are displayed explicitly.Comment: 11 pages, revtex, 3ps figures, to appear in Phys. Rev.

Correlation and surface effects in Vanadium Oxides

Recent photoemission experiments have shown strong surface modifications in the spectra from vanadium oxides as (V,Cr)_2O_3 or (Sr,Ca)VO_3. The effective mass is enhanced at the surface and the coherent part of the surface spectrum is narrowed as compared to the bulk. The quasiparticle weight is more sensitive at the surface than in the bulk against bandwidth variations. We investigate these effects theoretically considering the single-band Hubbard model for a film geometry. A simplified dynamical mean-field scheme is used to calculate the main features of the interacting layer-dependent spectral function. It turns out that the experimentally confirmed effects are inherent properties of a system of strongly correlated electrons. The reduction of the weight and the variance of the coherent part of the surface spectrum can be traced back to the reduced surface coordination number. Surface correlation effects can be strongly amplified by changes of the hopping integrals at the surface.Comment: to appear in PRB; 8 pages, 6 figure

Ferromagnetism in the Periodic Anderson Model - a Modified Alloy Analogy

We introduce a new aproximation scheme for the periodic Anderson model (PAM). The modified alloy approximation represents an optimum alloy approximation for the strong coupling limit, which can be solved within the CPA-formalism. Zero-temperature and finite-temperature phase diagrams are presented for the PAM in the intermediate-valence regime. The diversity of magnetic properties accessible by variation of the system parameters can be studied by means of quasiparticle densities of states: The conduction band couples either ferro- or antiferromagneticaly to the f-levels. A finite hybridization is a necessary precondition for ferromagnetism. However, too strong hybridization generally suppresses ferromagnetism, but can for certain system parameters also lead to a semi-metallic state with unusual magnetic properties. By comparing with the spectral density approximation, the influence of quasiparticle damping can be examined.Comment: 20 pages, 13 figure

A large Hilbert space QRPA and RQRPA calculation of neutrinoless double beta decay

A large Hilbert space is used for the calculation of the nuclear matrix elements governing the light neutrino mass mediated mode of neutrinoless double beta decay of Ge76, Mo100, Cd116, Te128 and Xe136 within the proton-neutron quasiparticle random phase approximation (pn-QRPA) and the renormalized QRPA with proton-neutron pairing (full-RQRPA) methods. We have found that the nuclear matrix elements obtained with the standard pn-QRPA for several nuclear transitions are extremely sensitive to the renormalization of the particle-particle component of the residual interaction of the nuclear hamiltonian. Therefore the standard pn-QRPA does not guarantee the necessary accuracy to allow us to extract a reliable limit on the effective neutrino mass. This behaviour, already known from the calculation of the two-neutrino double beta decay matrix elements, manifests itself in the neutrinoless double-beta decay but only if a large model space is used. The full-RQRPA, which takes into account proton-neutron pairing and considers the Pauli principle in an approximate way, offers a stable solution in the physically acceptable region of the particle-particle strength. In this way more accurate values on the effective neutrino mass have been deduced from the experimental lower limits of the half-lifes of neutrinoless double beta decay.Comment: 19 pages, RevTex, 1 Postscript figur

Stabilization of d-Band Ferromagnetism by Hybridization with Uncorrelated Bands

We investigate the influence of s-d or p-d hybridization to d-band ferromagnetism to estimate the importance of hybridization for the magnetic properties of transition metals. To focus our attention to the interplay between hybridization and correlation we investigate a simple model system consisting of two non-degenerated hybridized bands, one strongly correlated, the other one quasi-free. To solve this extended Hubbard model, we apply simple approximations, namely SDA and MAA, that, concerning ferromagnetism in the single-band model, are known to give qualitatively satisfactory results. This approach allows us to discuss the underlying mechanism, by which d-band ferromagnetism is influenced by the hybridization on the basis of analytical expressions. The latter clearly display the order and the functional dependencies of the important effects. It is found, that spin-dependent inter-band particle fluctuations cause a spin-dependent band shift and a spin-dependent band broadening of the Hubbard bands. The shift stabilizes, the broadening tends to destabilize ferromagnetism. Stabilization requires relatively high band distances and small hybridization matrix elements. Super-exchange and RKKY coupling are of minor importance.Comment: 9 pages, 7 figures, accepted for PR

Synthesis and Characterisation of Hierarchically Structured Titanium Silicalite‐1 Zeolites with Large Intracrystalline Macropores

The successful synthesis of hierarchically structured titanium silicalite‐1 (TS‐1) with large intracrystalline macropores by steam‐assisted crystallisation of mesoporous silica particles is reported. The macropore topology was imaged in 3D by using electron tomography and synchrotron radiation‐based ptychographic X‐ray computed tomography, revealing interconnected macropores within the crystals accounting for about 30 % of the particle volume. The study of the macropore formation mechanism revealed that the mesoporous silica particles act as a sacrificial macropore template during the synthesis. Silicon‐to‐titanium ratio of the macroporous TS‐1 samples was successfully tuned from 100 to 44. The hierarchically structured TS‐1 exhibited high activity in the liquid phase epoxidation of 2‐octene with hydrogen peroxide. The hierarchically structured TS‐1 surpassed a conventional nano‐sized TS‐1 sample in terms of alkene conversion and showed comparable selectivity to the epoxide. The flexible synthesis route described here can be used to prepare hierarchical zeolites with improved mass transport properties for other selective oxidation reactions

Lepton Flavor Violation: Constraints from exotic muon to electron conversion

The exotic neutrinoless $\mu^- - e^-$ nuclear conversion is studied within the conventional extensions of the standard model as well as in the minimal supersymmetric (SUSY) models with and without R-parity conservation. The dependence of the $\mu^- - e^-$ conversion rates on the nucleon and nuclear structure is consistently taken into account. Using our calculated transition matrix elements and the available experimental data on the branching ratio $R_{\mu e^-}$ for $^{48}$Ti and $^{208}$Pb as well as the expected experimental sensitivity for $^{27}$Al employed as a target in the planned at Brookhaven $\mu^--e^-$ conversion (MECO) experiment, we extract very severe constraints for the flavor violation parameters. We especially emphasize on the constraints resulting for SUSY R-parity violating parameters.Comment: 14 pages, 2 figures. Based on the Invited talk given by T.S. Kosmas at the International Conference on Non-Accelerator New Physics(NANP'99), Dubna, Russia, 199