Low-energy electronic properties of clean CaRuO3_3: elusive Landau quasiparticles

We have prepared high-quality epitaxial thin films of CaRuO$_3$ with residual resistivity ratios up to 55. Shubnikov-de Haas oscillations in the magnetoresistance and a $T^2$ temperature dependence in the electrical resistivity only below 1.5 K, whose coefficient is substantially suppressed in large magnetic fields, establish CaRuO$_3$ as a Fermi liquid (FL) with anomalously low coherence scale. Non-Fermi liquid (NFL) $T^{3/2}$ dependence is found between 2 and 25 K. The high sample quality allows access to the intrinsic electronic properties via THz spectroscopy. For frequencies below 0.6 THz, the conductivity is Drude-like and can be modeled by FL concepts, while for higher frequencies non-Drude behavior, inconsistent with FL predictions, is found. This establishes CaRuO$_3$ as a prime example of optical NFL behavior in the THz range.Comment: 12 pages, 21 figures including supplemental materia

Electronic transport calculations for rough interfaces in Al, Cu, Ag, and Au

We present results of electronic structure and transport calculations for metallic interfaces, based on density functional theory and the non-equilibrium Green's functions method. Starting from the electronic structure of smooth Al, Cu, Ag, and Au interfaces, we study the effects of different kinds of interface roughness on the transmission coefficient and the I-V characteristic. In particular, we compare prototypical interface distortions, including vacancies and metallic impurities.Comment: 15 pages, 10 figure

Symmetric Versus Nonsymmetric Structure of the Phosphorus Vacancy on InP(110)

The atomic and electronic structure of positively charged P vacancies on InP(110) surfaces is determined by combining scanning tunneling microscopy, photoelectron spectroscopy, and density-functional theory calculations. The vacancy exhibits a nonsymmetric rebonded atomic configuration with a charge transfer level 0.75+-0.1 eV above the valence band maximum. The scanning tunneling microscopy (STM) images show only a time average of two degenerate geometries, due to a thermal flip motion between the mirror configurations. This leads to an apparently symmetric STM image, although the ground state atomic structure is nonsymmetric.Comment: 5 pages including 3 figures. related publications can be found at http://www.fhi-berlin.mpg.de/th/paper.htm

Estimation of the Required Amount of Hydrological Exploration in Lignite Mining Areas on the Basis of Hypothetical Hydrogeological Models

Mine drainage is a necessary but very costly precaution for open-pit lignite mining in sandy aquifers. Consequently, the minimization of the number of drainage wells and their optimal operation become important tasks in designing mine drainage systems. Comprehensive groundwater flow models have to be used, both, for the design of drainage wells, and for the analysis of water management strategies in mining areas . The accuracy of computations with such models depends on the precision of the underlying hydrogeological informations. In order to get these informations detailed and costly hydrogeological explorations have to be done in the mining regions. The basic informations are obtained using exploration drilling. The cost for hydrogeological exploration are approximately a linear function of the number of exploration bore holes. Therefore the reduction of drilling gets a key role in reducing costs of exploration. This might be done by: increased use of geophysical exploration methods; complex analysis of exploration results using mathematical statistical methods; precise estimation of the required amount of hydrogeological informations. The paper describes a mathematical approach to support the complex decision making procedure of estimating the optimal amount of hydrogeological exploration with respect to a given mine drainage goal

Fuzzy Fibers: Uncertainty in dMRI Tractography

Fiber tracking based on diffusion weighted Magnetic Resonance Imaging (dMRI) allows for noninvasive reconstruction of fiber bundles in the human brain. In this chapter, we discuss sources of error and uncertainty in this technique, and review strategies that afford a more reliable interpretation of the results. This includes methods for computing and rendering probabilistic tractograms, which estimate precision in the face of measurement noise and artifacts. However, we also address aspects that have received less attention so far, such as model selection, partial voluming, and the impact of parameters, both in preprocessing and in fiber tracking itself. We conclude by giving impulses for future research

Highly site-specific H2 adsorption on vicinal Si(001) surfaces

Experimental and theoretical results for the dissociative adsorption of H_2 on vicinal Si(001) surfaces are presented. Using optical second-harmonic generation, sticking probabilities at the step sites are found to exceed those on the terraces by up to six orders of magnitude. Density functional theory calculations indicate the presence of direct adsorption pathways for monohydride formation but with a dramatically lowered barrier for step adsorption due to an efficient rehybridization of dangling orbitals.Comment: 5 pages, 4 figures, submitted to Phys. Rev. Lett. (1998). Other related publications can be found at http://www.fhi-berlin.mpg.de/th/paper.htm

Localized Excitons and Breaking of Chemical Bonds at III-V (110) Surfaces

Electron-hole excitations in the surface bands of GaAs(110) are analyzed using constrained density-functional theory calculations. The results show that Frenkel-type autolocalized excitons are formed. The excitons induce a local surface unrelaxation which results in a strong exciton-exciton attraction and makes complexes of two or three electron-hole pairs more favorable than separate excitons. In such microscopic exciton "droplets" the electron density is mainly concentrated in the dangling orbital of a surface Ga atom whereas the holes are distributed over the bonds of this atom to its As neighbors thus weakening the bonding to the substrate. This finding suggests the microscopic mechanism of a laser-induced emission of neutral Ga atoms from GaAs and GaP (110) surfaces.Comment: submitted to PRL, 10 pages, 4 figures available upon request from: [email protected]

Surface electronic structure of the Fe3O4(100): Evidence of a half-metal to metal transition

In situ prepared Fe3O4(100) thin films were studied by means of scanning tunneling microscopy (STM) and spin-polarized photoelectron spectroscopy (SP-PES). The atomically resolved (2×2)R45°wavelike surface atomic structure observed by STM is explained based on density functional theory (DFT) and ab initio atomistic thermodynamics calculations as a laterally distorted surface layer containing octahedral iron and oxygen, referred to as a modified B layer. The work-function value of the Fe3O4(100) surface extracted from the cutoff of the photoelectron spectra is in good agreement with that predicted from DFT. On the Fe3O4(100) surface both the SP-PES measurements and the DFT results show a strong reduction of the spin polarization at the Fermi level (EF) compared to the bulk density of states. The nature of the states in the majority band gap of the Fe3O4 surface layer is analyzed

Theoretical study of O adlayers on Ru(0001)

Recent experiments performed at high pressures indicate that ruthenium can support unusually high concentrations of oxygen at the surface. To investigate the structure and stability of high coverage oxygen structures, we performed density functional theory calculations, within the generalized gradient approximation, for O adlayers on Ru(0001) from low coverage up to a full monolayer. We achieve quantitative agreement with previous low energy electron diffraction intensity analyses for the (2x2) and (2x1) phases and predict that an O adlayer with a (1x1) periodicity and coverage of 1 monolayer can form on Ru(0001), where the O adatoms occupy hcp-hollow sites.Comment: RevTeX, 6 pages, 4 figure

Human resources for health and burden of disease: an econometric approach

<p>Abstract</p> <p>Background</p> <p>The effect of health workers on health has been proven to be important for various health outcomes (e.g. mortality, coverage of immunisation or skilled birth attendants). The study aim of this paper is to assess the relationship between health workers and disability-adjusted life years (DALYs), which represents a much broader concept of health outcome, including not only mortality but also morbidity.</p> <p>Methods</p> <p>Cross-country multiple regression analyses were undertaken, with DALYs and DALYs disaggregated according to the three different groups of diseases as the dependent variable. Aggregate health workers and disaggregate physicians, nurses, and midwives were included as independent variables, as well as a variable accounting for the skill mix of professionals. The analysis also considers controlling for the effects of income, income distribution, percentage of rural population with access to improved water source, and health expenditure.</p> <p>Results</p> <p>This study presents evidence of a statistically negative relationship between the density of health workers (especially physicians) and the DALYs. An increase of one unit in the density of health workers per 1000 will decrease, on average, the total burden of disease between 1% and 3%. However, in line with previous findings in the literature, the density of nurses and midwives could not be said to be statistically associated to DALYs.</p> <p>Conclusions</p> <p>If countries increase their health worker density, they will be able to reduce significantly their burden of disease, especially the burden associated to communicable diseases. This study represents supporting evidence of the importance of health workers for health.</p