Van der Waals effects on grazing incidence fast atom diffraction for H/LiF(001)

We theoretically address grazing incidence fast atom diffraction (GIFAD) for H atoms impinging on a LiF(001) surface. Our model combines a description of the H-LiF(001) interaction obtained from Density Functional Theory calculations with a semi-quantum treatment of the dynamics. We analyze simulated diffraction patterns in terms of the incidence channel, the impact energy associated with the motion normal to the surface, and the relevance of Van der Waals (VdW) interactions. We then contrast our simulations with experimental patterns for different incidence conditions. Our most important finding is that, for normal energies lower than 0.5 eV and incidence along the channel, the inclusion of Van der Waals interactions in our potential energy surface yields a greatly improved accord between simulations and experiments. This agreement strongly suggests a non-negligible role of Van der Waals interactions in H/LiF(001) GIFAD in the low-to-intermediate normal energy regime

The two gap transitions in Ge1−x_{1-x}Snx_x: effect of non-substitutional complex defects

The existence of non-substitutional $\beta$-Sn defects in Ge$_{1-x}$Sn$_{x}$ was confirmed by emission channeling experiments [Decoster et al., Phys. Rev. B 81, 155204 (2010)], which established that although most Sn enters substitutionally ($\alpha$-Sn) in the Ge lattice, a second significant fraction corresponds to the Sn-vacancy defect complex in the split-vacancy configuration ( $\beta$-Sn ), in agreement with our previous theoretical study [Ventura et al., Phys. Rev. B 79, 155202 (2009)]. Here, we present our electronic structure calculation for Ge$_{1-x}$Sn$_{x}$, including substitutional $\alpha$-Sn as well as non-substitutional $\beta$-Sn defects. To include the presence of non-substitutional complex defects in the electronic structure calculation for this multi-orbital alloy problem, we extended the approach for the purely substitutional alloy by Jenkins and Dow [Jenkins and Dow, Phys. Rev. B 36, 7994 (1987)]. We employed an effective substitutional two-site cluster equivalent to the real non-substitutional $\beta$-Sn defect, which was determined by a Green's functions calculation. We then calculated the electronic structure of the effective alloy purely in terms of substitutional defects, embedding the effective substitutional clusters in the lattice. Our results describe the two transitions of the fundamental gap of Ge$_{1-x}$Sn$_{x}$ as a function of the total Sn-concentration: namely from an indirect to a direct gap, first, and the metallization transition at higher $x$. They also highlight the role of $\beta$-Sn in the reduction of the concentration range which corresponds to the direct-gap phase of this alloy, of interest for optoelectronics applications.Comment: 11 pages, 9 Figure

Measurement of Antenna Surfaces from In- and Out-Of-Focus Beam Maps using Astronomical Sources

We present a technique for the accurate estimation of large-scale errors in an antenna surface using astronomical sources and detectors. The technique requires several out-of-focus images of a compact source and the signal-to-noise ratio needs to be good but not unreasonably high. For a given pattern of surface errors, the expected form of such images can be calculated directly. We show that it is possible to solve the inverse problem of finding the surface errors from the images in a stable manner using standard numerical techniques. To do this we describe the surface error as a linear combination of a suitable set of basis functions (we use Zernike polynomials). We present simulations illustrating the technique and in particular we investigate the effects of receiver noise and pointing errors. Measurements of the 15-m James Clerk Maxwell telescope made using this technique are presented as an example. The key result is that good measurements of errors on large spatial scales can be obtained if the input images have a signal-to-noise ratio of order 100 or more. The important advantage of this technique over transmitter-based holography is that it allows measurements at arbitrary elevation angles, so allowing one to characterise the large scale deformations in an antenna as a function of elevation.Comment: 6 pages, 5 figures (accepted by Astronomy & Astrophysics

New Critical Compilations of Atomic Transition Probabilities for Neutral and Singly Ionized Carbon, Nitrogen, and Iron

We have undertaken new critical assessments and tabulations of the transition probabilities of important lines of these spectra. For Fe I and Fe II, we have carried out a complete re-assessment and update, and we have relied almost exclusively on the literature of the last 15 years. Our updates for C I, C II and N I, N II primarily address the persistent lower transitions as well as a greatly expanded number of forbidden lines (M1, M2, and E2). For these transitions, sophisticated multiconfiguration Hartree-Fock (MCHF) calculations have been recently carried out, which have yielded data considerably improved and often appreciably different from our 1996 NIST compilation

Non-substitutional single-atom defects in the Ge_(1-x)Sn_x alloy

Ge_(1-x)Sn_x alloys have proved difficult to form at large x, contrary to what happens with other group IV semiconductor combinations. However, at low x they are typical examples of well-behaved substitutional compounds, which is desirable for harnessing the electronic properties of narrow band semiconductors. In this paper, we propose the appearance of another kind of single-site defect ($\beta-Sn$), consisting of a single Sn atom in the center of a Ge divacancy, that may account for these facts. Accordingly, we examine the electronic and structural properties of these alloys by performing extensive numerical ab-initio calculations around local defects. The results show that the environment of the $\beta$ defect relaxes towards a cubic octahedral configuration, facilitating the nucleation of metallic white tin and its segregation, as found in amorphous samples. Using the information stemming from these local defect calculations, we built a simple statistical model to investigate at which concentration these $\beta$ defects can be formed in thermal equilibrium. These results agree remarkably well with experimental findings, concerning the critical concentration above which the homogeneous alloys cannot be formed at room temperature. Our model also predicts the observed fact that at lower temperature the critical concentration increases. We also performed single site effective-field calculations of the electronic structure, which further support our hypothesis.Comment: 12 pages, 1 table, 16 figure

Imaging hyphal growth of Physisporinus vitreus in Norway spruce wood by means of confocal laser scanning microscopy (CLSM)

Light microscopy and electron microscopy are the most common methods for analyzing wood-decay fungi. However, the 3D visualization and quantification of the filamentous structure of fungi in wood is difficult to realize by means of these traditional techniques. In the present work, confocal laser scanning microscopy (CLSM) was further developed for the quantitative imaging of the 3D microscopic hyphal growth of Physisporinus vitreus, a versatile fungus for engineering value-added wood products. To this purpose, the fungus was stained with a fluorescent dye Alexa Fluor. The 3D information obtained by CLSM has a high potential as a basis for the development of mathematical models for a more precise observation of the growth behavior of wood-decay fung

First-Principles Approach to Electrorotation Assay

We have presented a theoretical study of electrorotation assay based on the spectral representation theory. We consider unshelled and shelled spheroidal particles as an extension to spherical ones. From the theoretical analysis, we find that the coating can change the characteristic frequency at which the maximum rotational angular velocity occurs. The shift in the characteristic frequency is attributed to a change in the dielectric properties of the bead-coating complex with respect to those of the uncoated particles. By adjusting the dielectric properties and the thickness of the coating, it is possible to obtain good agreement between our theoretical predictions and the assay data.Comment: 17 pages, 4 eps figures; minor revisions, accepted for publications by J. Phys.: Condens. Matte

09101 Abstracts Collection -- Interactive Information Retrieval

From 01.03. to 06.03.2009, the Dagstuhl Seminar 09101 ``Interactive Information Retrieval \u27\u27 was held in Schloss Dagstuhl~--~Leibniz Center for Informatics. During the seminar, several participants presented their current research, and ongoing work and open problems were discussed. Abstracts of the presentations given during the seminar as well as abstracts of seminar results and ideas are put together in this paper. The first section describes the seminar topics and goals in general. Links to extended abstracts or full papers are provided, if available