Ab-initio calculations of the optical properties of the Si(113)3x2ADI surface

We investigated the stable silicon (113) surface with a 3x2ADI reconstruction by ab-initio methods. The ground state properties have been obtained using the density-functional theory. We present the dispersion of the electronic band structure, where the surface bands have been distinguished from the projected bulk bands by calculating their localization in the slab. The optical spectra, here the reflectance anisotropy (RAS), have been obtained within the independent particle random phase approximation. We identified surface features in the spectra tracing them back to the responsible electronic states and, studied their localization in the slab. A comparison with available experimental data for the band structure and the RAS shows a good agreement.Comment: 10 pages, 10 figure

Calculating all elements of minimal index in the infinite parametric family of simplest quartic fields

summary:It is a classical problem in algebraic number theory to decide if a number field is monogeneous, that is if it admits power integral bases. It is especially interesting to consider this question in an infinite parametric family of number fields. In this paper we consider the infinite parametric family of simplest quartic fields $K$ generated by a root $\xi$ of the polynomial $P_t(x)=x^4-tx^3-6x^2+tx+1$, assuming that $t>0$, $t\neq 3$ and $t^2+16$ has no odd square factors. In addition to generators of power integral bases we also calculate the minimal index and all elements of minimal index in all fields in this family

Elementary structural building blocks encountered in silicon surface reconstructions

Driven by the reduction of dangling bonds and the minimization of surface stress, reconstruction of silicon surfaces leads to a striking diversity of outcomes. Despite this variety even very elaborate structures are generally comprised of a small number of structural building blocks. We here identify important elementary building blocks and discuss their integration into the structural models as well as their impact on the electronic structure of the surface

A process-based analysis of the suitability of copula types for peak-volume flood relationships

The work aims at analyzing the bivariate relationship between flood peaks and flood volumes, with a particular focus on the type and seasonality of flood generation processes. Instead of the usual approach that deals with an analysis of the annual maxima of flood events, the current analysis includes all independent flood events in a catchment. Flood events are considered independent when they originate from distinguishably different synoptic/meteorological situations. The target region is located in the northern part of Austria, and consists of 72 small and mid-sized catchments. On the basis of the discharge measurements with a time resolution of 1 h from the period 1976–2007, independent flood events were identified and were assigned to one of the three following flood generation type categories: synoptic floods, flash floods and snowmelt floods. These were subsequently divided into two seasons, thereby separating predominantly rainfall-fed and snowmelt-fed floods. Nine frequently-used copula types were locally fitted to the samples of the flood type and seasonal data. Their goodness-of-fit was examined locally as well as analyzed in a regional scope. It was concluded that (i) treating flood processes separately is beneficial for the statistical analysis; (ii) suitability patterns of acceptable copula types are distinguishably different for the seasons/flood types considered, (iii) the Clayton and Joe copulas shows an unacceptable performance for all the seasons/flood types in the region; (iv) the rejection rate of the other copula types depends on the season/flood type and also on the sample size; (v) given that usually more than one statistically suitable dependence model exists, an uncertainty analysis of the design values in the engineering studies resulting from the choice of model seems unavoidable; (vi) reducing uncertainty in the choice of model could be attempted by a deeper hydrological analysis of the dependence structure between flood peaks and volumes in order to give hydrological support to the decision on model's suitability in specific regions and for typical flood generation mechanisms

Preferences of Hungarian consumers for quality, access and price attributes of health care services — result of a discrete choice experiment

In 2010, a household survey was carried out in Hungary among 1037 respondents to study consumer preferences and willingness to pay for health care services. In this paper, we use the data from the discrete choice experiments included in the survey, to elicit the preferences of health care consumers about the choice of health care providers. Regression analysis is used to estimate the effect of the improvement of service attributes (quality, access, and price) on patients’ choice, as well as the differences among the socio-demographic groups. We also estimate the marginal willingness to pay for the improvement in attribute levels by calculating marginal rates of substitution. The results show that respondents from a village or the capital, with low education and bad health status are more driven by the changes in the price attribute when choosing between health care providers. Respondents value the good skills and reputation of the physician and the attitude of the personnel most, followed by modern equipment and maintenance of the office/hospital. Access attributes (travelling and waiting time) are less important. The method of discrete choice experiment is useful to reveal patients’ preferences, and might support the development of an evidence-based and sustainable health policy on patient payments

Pressure dependence of the thermoelectric power of single-walled carbon nanotubes

We have measured the thermoelectric power (S) of high purity single-walled carbon nanotube mats as a function of temperature at various hydrostatic pressures up to 2.0 GPa. The thermoelectric power is positive, and it increases in a monotonic way with increasing temperature for all pressures. The low temperature (T < 40 K) linear thermoelectric power is pressure independent and is characteristic for metallic nanotubes. At higher temperatures it is enhanced and though S(T) is linear again above about 100 K it has a nonzero intercept. This enhancement is strongly pressure dependent and is related to the change of the phonon population with hydrostatic pressure.Comment: 4 pages, 3 figure

Lateral Separation of Macromolecules and Polyelectrolytes in Microlithographic Arrays

A new approach to separation of a variety of microscopic and mesoscopic objects in dilute solution is presented. The approach takes advantage of unique properties of a specially designed separation device (sieve), which can be readily built using already developed microlithographic techniques. Due to the broken reflection symmetry in its design, the direction of motion of an object in the sieve varies as a function of its self-diffusion constant, causing separation transverse to its direction of motion. This gives the device some significant and unique advantages over existing fractionation methods based on centrifugation and electrophoresis.Comment: 4 pages with 3 eps figures, needs RevTeX 3.0 and epsf, also available in postscript form http://cmtw.harvard.edu/~deniz

Pressure Induced Quantum Critical Point and Non-Fermi-Liquid Behavior in BaVS3

The phase diagram of BaVS3 is studied under pressure using resistivity measurements. The temperature of the metal to nonmagnetic Mott insulator transition decreases under pressure, and vanishes at the quantum critical point p_cr=20kbar. We find two kinds of anomalous conducting states. The high-pressure metallic phase is a non-Fermi liquid described by Delta rho = T^n where n=1.2-1.3 at 1K < T < 60K. At p<p_cr, the transition is preceded by a wide precursor region with critically increasing resistivity which we ascribe to the opening of a soft Coulomb gap.Comment: 4 pages, 5 eps figures, problem with figure correcte

Ab initio study of the beta$-tin->Imma->sh phase transitions in silicon and germanium

We have investigated the structural sequence of the high-pressure phases of silicon and germanium. We have focussed on the cd->beta-tin->Imma->sh phase transitions. We have used the plane-wave pseudopotential approach to the density-functional theory implemented within the Vienna ab-initio simulation package (VASP). We have determined the equilibrium properties of each structure and the values of the critical parameters including a hysteresis effect at the phase transitions. The order of the phase transitions has been obtained alternatively from the pressure dependence of the enthalpy and of the internal structure parameters. The commonly used tangent construction is shown to be very unreliable. Our calculations identify a first-order phase transition from the cd to the beta-tin and from the Imma to the sh phase, and they indicate the possibility of a second-order phase-transition from the beta-tin to the Imma phase. Finally, we have derived the enthalpy barriers between the phases.Comment: 12 pages, 16 figure