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

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

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

Cross effect of Coulomb correlation and hybridization in the occurrence of ferromagnetism in two shifted band transition metals

In this work we discuss the occurrence of ferromagnetism in transition-like metals. The metal is represented by two hybridized($V$) and shifted $(\epsilon_s$) bands one of which includes Hubbard correlation whereas the other is uncorrelated. The starting point is to transform the original Hamiltonian into an effective one. Only one site retains the full correlation (U) while in the others the correlations are represented by an effective field, the self-energy(single-site approximation). This field is self-consistently determined by imposing the translational invariance of the problem. Thereby one gets an exchange split quasi-particle density of states and then an electron-spin polarization for some values of the parameters $(U,V, \alpha, \epsilon_s)$, $\alpha$ being the ratio of the effective masses of the two bands and of the occupation number $n$.Comment: 4 pages, 10 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

Femoral neck fracture following intramedullary nailing with misplacement of an end cup: report of two cases

Femoral neck fracture is an unusual complication of intramedullary fixation of a broken femur. We report on two cases of femoral neck fractures attributed to misplacement of an end cup and subsequent invasive maneuvers in an effort to remove it. Iatrogenic fractures of the femoral neck during or after intramedullary nailing are reported in the medical literature. Authors associate it with many possible technical mistakes performed during the procedure, yet no complications after missed end cup placement were noted. We suggest that the fractures described below were a consequence of injury to the vascular supply and bone stock of the initially intact femoral neck

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