Origin of the large thermoelectric power in oxygen-variable RBaCo_{2}O_{5+x} (R=Gd, Nd)

Thermoelectric properties of GdBaCo_{2}O_{5+x} and NdBaCo_{2}O_{5+x} single crystals have been studied upon continuous doping of CoO_2 planes with either electrons or holes. The thermoelectric response and the resistivity behavior reveal a hopping character of the transport in both compounds, providing the basis for understanding the recently found remarkable divergence of the Seebeck coefficient at x=0.5. The doping dependence of the thermoelectric power evinces that the configurational entropy of charge carriers, enhanced by their spin and orbital degeneracy, plays a key role in the origin of the large thermoelectric response in these correlated oxides.Comment: 5 pages, 4 figures, accepted for publication in PR

The adsorption structure of furan on Pd(1 1 1)

The structure of molecular furan, C4H4O, on Pd(1 1 1) has been investigated by O K-edge near-edge X-ray absorption fine structure (NEXAFS) and C 1s scanned-energy mode photoelectron diffraction (PhD). NEXAFS shows the molecule to be adsorbed with the molecular plane close to parallel to the surface, a conclusion confirmed by the PhD analysis. Chemical-state specific C 1s PhD data were obtained for the two inequivalent C atoms in the furan, the α-C atoms adjacent to the O atom, and the β-C atoms bonded only to C atoms, but only the PhD modulations for the α-C emitters were of sufficiently large amplitude for detailed evaluation using multiple scattering calculations. This analysis shows the α-C atoms to be located approximately 0.6 Å off-atop surface Pd atoms with an associated C–Pd bondlength of 2.13 ± 0.03 Å. Two alternative local geometries consistent with the data place the O atom in off-atop or near-hollow locations, and for each of these local structures there are two equally-possible registries relative to the fcc and hcp hollow sites. The results are in good agreement with earlier density functional theory calculations which indicate that the fcc and hcp registries are equally probable, but the PhD results fail to distinguish the two distinct local bonding geometries

A structural study of a C3H3 species coadsorbed with CO on Pd(1 1 1)

The combination of chemical-state-specific C 1s scanned-energy mode photoelectron diffraction (PhD) and O K-edge near-edge X-ray absorption fine structure (NEXAFS) has been used to determine the local adsorption geometry of the coadsorbed C3H3 and CO species formed on Pd(1 1 1) by dissociation of molecular furan. CO is found to adopt the same geometry as in the Pd(1 1 1)c(4 × 2)-CO phase, occupying the two inequivalent three-fold coordinated hollow sites with the C–O axis perpendicular to the surface. C3H3 is found to lie with its molecular plane almost parallel to the surface, most probably with the two ‘outer’ C atoms in equivalent off-atop sites, although the PhD analysis formally fails to distinguish between two distinct local adsorption sites

Irradiation study of a fully monolithic HV-CMOS pixel sensor design in AMS 180 nm

High-Voltage Monolithic Active Pixel Sensors (HV-MAPS) based on the 180 nm HV-CMOS process have been proposed to realize thin, fast and highly integrated pixel sensors. The MuPix7 prototype, fabricated in the commercial AMS H18 process, features a fully integrated on-chip readout, i.e. hit-digitization, zero suppression and data serialization. It is the first fully monolithic HV-CMOS pixel sensor that has been tested for the use in high irradiation environments like HL-LHC. We present results from laboratory and test beam measurements of MuPix7 prototypes irradiated with neutrons (up to $5.0\cdot10^{15}{\,\rm{n}_{\rm{eq}}/cm^2}$) and protons (up to $7.8\cdot 10^{15} \,\rm{protons}/cm^2$) and compare the performance with non-irradiated sensors. Efficiencies well above 90 % at noise rates below 200 Hz per pixel are measured. A time resolution better than 22 ns is measured for all tested settings and sensors, even at the highest irradiation fluences. The data transmission at 1.25 Gbit/s and the on-chip PLL remain fully functional

Diffusion and defect reactions between donors, C, and vacancies in Ge. II. Atomistic calculations of related complexes

Electronic structure calculations are used to study the stability, concentration, and migration of vacancy-donor (phosphorus, arsenic, and antimony) complexes in germanium, in the presence of carbon. The association of carbon with mobile vacancy-donor pairs can lead to energetically favorable and relatively immobile complexes. It is predicted that the complexes formed between lattice vacancies, carbon, and antimony substitutional atoms are more stable and less mobile compared to complexes composed of vacancies, carbon, and phosphorus or arsenic atoms. Then, with the use of mass action analysis, the relative concentrations of the most important complexes are calculated, which depend also on their relative stability not just their absolute stability. Overall, the theoretical predictions are consistent with experimental results, which determined that the diffusion of vacancy-donor defects is retarded in the presence of carbon, especially in samples with a high concentration of carbon. In addition, the calculations provide information on the structure and the equilibrium concentration of the most important complexes and details of their association energies

Photoelectron diffraction investigation of the structure of the clean TiO2(110)(1×1) surface

The surface relaxations of the rutile TiO2(110)(1×1) clean surface have been determined by O 1 s and Ti 2p3∕2 scanned-energy mode photoelectron diffraction. The results are in excellent agreement with recent low-energy electron diffraction (LEED) and medium energy ion scattering (MEIS) results, but in conflict with the results of some earlier investigations including one by surface x-ray diffraction. In particular, the bridging O atoms at the surface are found to relax outward, rather than inward, relative to the underlying bulk. Combined with the recent LEED and MEIS results, a consistent picture of the structure of this surface is provided. While the results of the most recent theoretical total-energy calculations are qualitatively consistent with this experimental consensus, significant quantitative differences remain

Tuning the properties of complex transparent conducting oxides: role of crystal symmetry, chemical composition and carrier generation

The electronic properties of single- and multi-cation transparent conducting oxides (TCOs) are investigated using first-principles density functional approach. A detailed comparison of the electronic band structure of stoichiometric and oxygen deficient In$_2$O$_3$, $\alpha$- and $\beta$-Ga$_2$O$_3$, rock salt and wurtzite ZnO, and layered InGaZnO$_4$ reveals the role of the following factors which govern the transport and optical properties of these TCO materials: (i) the crystal symmetry of the oxides, including both the oxygen coordination and the long-range structural anisotropy; (ii) the electronic configuration of the cation(s), specifically, the type of orbital(s) -- $s$, $p$ or $d$ -- which form the conduction band; and (iii) the strength of the hybridization between the cation's states and the p-states of the neighboring oxygen atoms. The results not only explain the experimentally observed trends in the electrical conductivity in the single-cation TCO, but also demonstrate that multicomponent oxides may offer a way to overcome the electron localization bottleneck which limits the charge transport in wide-bandgap main-group metal oxides. Further, the advantages of aliovalent substitutional doping -- an alternative route to generate carriers in a TCO host -- are outlined based on the electronic band structure calculations of Sn, Ga, Ti and Zr-doped InGaZnO$_4$. We show that the transition metal dopants offer a possibility to improve conductivity without compromising the optical transmittance

Proposal for an experiment to measure the Hausdorff dimension of quantum mechanical trajectories

We make a proposal for a Gedanken experiment, based on the Aharonov-Bohm effect, how to measure in principle the zig-zagness of the trajectory of propagation (abberation from its classical trajectory) of a massive particle in quantum mechanics. Experiment I is conceived to show that contributions from quantum paths abberating from the classical trajectory are directly observable. Experiment II is conceived to measure average length, scaling behavior and critical exponent (Hausdorff dimension) of quantum mechanical paths.Comment: 35 pages, LaTeX + 27 figures, ps and gi

A Declarative Framework for Specifying and Enforcing Purpose-aware Policies

Purpose is crucial for privacy protection as it makes users confident that their personal data are processed as intended. Available proposals for the specification and enforcement of purpose-aware policies are unsatisfactory for their ambiguous semantics of purposes and/or lack of support to the run-time enforcement of policies. In this paper, we propose a declarative framework based on a first-order temporal logic that allows us to give a precise semantics to purpose-aware policies and to reuse algorithms for the design of a run-time monitor enforcing purpose-aware policies. We also show the complexity of the generation and use of the monitor which, to the best of our knowledge, is the first such a result in literature on purpose-aware policies.Comment: Extended version of the paper accepted at the 11th International Workshop on Security and Trust Management (STM 2015