Microscopic Structure of the Low-Energy Electric Dipole Response of

The microscopic structure of the low-energy electric dipole response, commonly denoted as pygmy dipole resonance (PDR), was studied for ^{120}Sn in a ^{119}Sn(d,pγ)^{120}Sn experiment. Unprecedented access to the single-particle structure of excited 1^{-} states below and around the neutron-separation threshold was obtained by comparing experimental data to predictions from a novel theoretical approach. The novel approach combines detailed structure input from energy-density functional plus quasiparticle-phonon model theory with reaction theory to obtain a consistent description of both the structure and reaction aspects of the process. The presented results show that the understanding of one-particle-one-hole structures of the 1^{-} states in the PDR region is crucial to reliably predict properties of the PDR and its contribution to nucleosynthesis processes.

Accessing the Single-Particle Structure of the Pygmy Dipole Resonance in

New experimental data on the neutron single-particle character of the Pygmy Dipole Resonance (PDR) in ^{208}Pb are presented. They were obtained from (d,p) and resonant proton scattering experiments performed at the Q3D spectrograph of the Maier-Leibnitz Laboratory in Garching, Germany. The new data are compared to the large suite of complementary, experimental data available for ^{208}Pb and establish (d,p) as an additional, valuable, experimental probe to study the PDR and its collectivity. Besides the single-particle character of the states, different features of the strength distributions are discussed and compared to large-scale shell model (LSSM) and energy-density functional plus quasiparticle-phonon model theoretical approaches to elucidate the microscopic structure of the PDR in ^{208}Pb.

Resilient Nodeless d-Wave Superconductivity in Monolayer FeSe.

Monolayer FeSe exhibits the highest transition temperature among the iron based superconductors and appears to be fully gapped, seemingly consistent with s-wave superconductivity. Here, we develop a theory for the superconductivity based on coupling to fluctuations of checkerboard magnetic order (which has the same translation symmetry as the lattice). The electronic states are described by a symmetry based k·p-like theory and naturally account for the states observed by angle resolved photoemission spectroscopy. We show that a prediction of this theory is that the resultant superconducting state is a fully gapped, nodeless, d-wave state. This state, which would usually have nodes, stays nodeless because, as seen experimentally, the relevant spin-orbit coupling has an energy scale smaller than the superconducting gap.

Pairing of j=3/2 Fermions in Half-Heusler Superconductors.

We theoretically consider the superconductivity of the topological half-Heusler semimetals YPtBi and LuPtBi. We show that pairing occurs between j=3/2 fermion states, which leads to qualitative differences from the conventional theory of pairing between j=1/2 states. In particular, this permits Cooper pairs with quintet or septet total angular momentum, in addition to the usual singlet and triplet states. Purely on-site interactions can generate s-wave quintet time-reversal symmetry-breaking states with topologically nontrivial point or line nodes. These local s-wave quintet pairs reveal themselves as d-wave states in momentum space. Furthermore, due to the broken inversion symmetry in these materials, the s-wave singlet state can mix with a p-wave septet state, again with topologically stable line nodes. Our analysis lays the foundation for understanding the unconventional superconductivity of the half-Heuslers.

Electric-field-induced modification of the magnon energy, exchange interaction, and curie temperature of transition-metal thin films.

The electric-field-induced modification in the Curie temperature of prototypical transition-metal thin films with the perpendicular magnetic easy axis, a freestanding Fe(001) monolayer and a Co monolayer on Pt(111), is investigated by first-principles calculations of spin-spiral structures in an external electric field (E field). An applied E field is found to modify the magnon (spin-spiral formation) energy; the change arises from the E-field-induced screening charge density in the spin-spiral states due to p-d hybridizations. The Heisenberg exchange parameters obtained from the magnon energy suggest an E-field-induced modification of the Curie temperature, which is demonstrated via Monte Carlo simulations that take the magnetocrystalline anisotropy into account.

Spin-orbit interactions and the nematicity observed in the fe-based superconductors.

High-resolution angle-resolved photoelectron spectroscopy is used to examine the electronic band structure of FeTe_{0.5}Se_{0.5} near the Brillouin zone center. A consistent separation of the α_{1} and α_{2} bands is observed with little k_{z} dependence of the α_{1} band. First-principles calculations for bulk and thin films demonstrate that the antiferromagnetic coupling between the Fe atoms and hybridization-induced spin-orbit effects lifts the degeneracy of the Fe d_{xz} and d_{yz} orbitals at the zone center leading to orbital ordering. These experimental and computational results provide a natural microscopic basis for the nematicity observed in the Fe-based superconductors.

Determining charge state of graphene vacancy by noncontact atomic force microscopy and first-principles calculations.

Graphene vacancies are engineered for novel functionalities, however, the charge state of these defects, the key parameter that is vital to charge transfer during chemical reactions and carrier scattering, is generally unknown. Here, we carried out atomic resolution imaging of graphene vacancy defects created by Ar plasma using noncontact atomic force microscopy, and made the first determination of their charge state by local contact potential difference measurements. Combined with density functional theory calculations, we show that graphene vacancies are typically positively charged, with size-dependent charge states that are not necessarily integer-valued. These findings provide new insights into carrier scattering by vacancy defects in graphene, as well as its functionalization for chemical sensing and catalysis, and underline the tunability of these functions by controlling the size of vacancy defect.

Revealing the substrate origin of the linear dispersion of silicene/Ag(111).

The band structure of the recently synthesized (3 × 3) silicene monolayer on (4 × 4) Ag(111) is investigated using density functional theory. A k-projection technique that includes the k⊥-dependence of the surface bands is used to separate the contributions arising from the silicene and the substrate, allowing a consistent comparison between the calculations and the angle-resolved photoemission experiments. Our calculations not only reproduce the observed gap and linear dispersion across the K point of (1 × 1) silicene but also demonstrate that these originate from the k⊥-dependence of Ag(111) substrate states (modified by interactions with the silicene) and not from a Dirac state.

[Skilled communication as "intervention" : Models for systematic communication in the healthcare system]. / Geschulte Kommunikation als "Intervention" : Modelle zur systematischen Kommunikation im Gesundheitswesen.

Specific communication training is currently not integrated into anesthesiology curricula. At the same time communication is an important key factor when working with colleagues, in the physician-patient relationship, during management of emergencies and in avoiding or reducing the legal consequences of adverse medical events. Therefore, focused attention should be brought to this area. In other high risk industries, specific communication training has been standard for a long time and in medicine there is an approach to teach and train these soft skills by simulation. Systematic communication training, however, is rarely an established component of specialist training. It is impossible not to communicate whereby nonverbal indications, such as gestures, mimic expression, posture and tone play an important part. Miscommunication, however, is common and leads to unproductive behavior. The cause of this is not always obvious. This article provides an overview of the communication models of Shannon, Watzlawick et al. and Schulz von Thun et al. and describes their limitations. The "Process Communication Model®" (PCM) is also introduced. An overview is provided with examples of how this tool can be used to look at the communication process from a systematic point of view. People have different psychological needs. Not taking care of these needs will result in individual stress behavior, which can be graded into first, second and third degrees of severity (driver behavior, mask behavior and desperation). These behavior patterns become exposed in predictable sequences. Furthermore, on the basis of this model, successful communication can be established while unproductive behavior that occurs during stress can be dealt with appropriately. Because of the importance of communication in all areas of medical care, opportunities exist to focus research on the influence of targeted communication on patient outcome, complications and management of emergencies.

Charging Dirac states at antiphase domain boundaries in the three-dimensional topological insulator Bi2Se3.

Using scanning tunneling microscopy and transmission electron microscopy, we demonstrate the existence of antiphase boundaries between neighboring grains shifted by a fraction of a quintuple layer in epitaxial (0001) films of the three-dimensional topological insulator Bi(2)Se(3). Scanning tunneling spectroscopy and first-principles calculations reveal that these antiphase boundaries provide electrostatic fields on the order of 10(8) V/m that locally charge the Dirac states, modulating the carrier density, and shift the Dirac point by up to 120 meV. This intrinsic electric field effect, demonstrated here near interfaces between Bi(2)Se(3) grains, provides direct experimental evidence at the atomic scale that the Dirac states are indeed robust against extended structural defects and tunable by electric field. These results also shed light on the recent observation of coexistence of Dirac states and two-dimensional electron gas on Bi(2)Se(3) (0001) after adsorption of metal atoms and gas molecules.

Strain and structure driven complex magnetic ordering of a CoO overlayer on Ir(100).

We investigate the magnetic ordering in the ultrathin c(10×2) CoO(111) film supported on Ir(100) on the basis of ab initio calculations. We find a close relationship between the local structural properties of the oxide film and the induced magnetic order, leading to alternating ferromagnetically and antiferromagnetically ordered segments. While the local magnetic order is directly related to the geometric position of the Co atoms, the mismatch between the CoO film and the Ir substrate leads to a complex long-range order of the oxide.

Spiral growth without dislocations: molecular beam epitaxy of the topological insulator Bi2Se3 on epitaxial graphene/SiC(0001).

We report a new mechanism that does not require the formation of interfacial dislocations to mediate spiral growth during molecular beam epitaxy of Bi2Se3. Based on in situ scanning tunneling microscopy observations, we find that Bi2Se3 growth on epitaxial graphene/SiC(0001) initiates with two-dimensional (2D) nucleation, and that the spiral growth ensues with the pinning of the 2D growth fronts at jagged steps of the substrate or at domain boundaries created during the coalescence of the 2D islands. Winding of the as-created growth fronts around these pinning centers leads to spirals. The mechanism can be broadly applied to the growth of other van der Waals materials on weakly interacting substrates. We further confirm, using scanning tunneling spectroscopy, that the one-dimensional helical mode of a line defect is not supported in strong topological insulators such as Bi2Se3.

[Management of dysphagic patients with acute stroke]. / Dysphagiemanagement in der akuten Schlaganfallphase.

This article describes expert recommendations on the management of patients with acute stroke, who might suffer from dysphagia. The main goal is to reduce the risk of aspiration pneumonia (AP). Nurses or physicians should perform the standardized swallowing assessment (SSA) as soon as possible and speech-language therapists have to perform examinations comprising assessment of predictors for aspiration and for AP as well as the clinical swallowing assessment. Dependent on the results, flexible endoscopic or video fluoroscopic evaluation of swallowing has to be performed so that indications for enteral or oral feeding can be made. Furthermore, the risk of AP can be minimized. This article presents algorithms which enable decision-making with regard to diagnostic and therapeutic measures.

Dynamically stabilized growth of polar oxides: the case of MgO(111).

By using MgO(111) as a model system for polar oxide film growth, we show by first-principles calculations that H acts as a surfactant, i.e., the H changes its position and bonding during the growth process, remaining in the surface region. Continuous presence of H during the growth of MgO(111) film efficiently removes the microscopic dipole moment, thus enabling the growth of perfect fcc-ordered MgO(111) films. These theoretical predictions are confirmed experimentally by molecular beam epitaxy single crystal growth of MgO(111) on SiC(0001).

Epitaxial graphene on SiC(0001): more than just honeycombs.

Using scanning tunneling microscopy with Fe-coated W tips and first-principles calculations, we show that the interface of epitaxial graphene/SiC(0001) is a warped graphene layer with hexagon-pentagon-heptagon (H(5,6,7)) defects that break the honeycomb symmetry, thereby inducing a gap and states below E(F near the K point. Although the next graphene layer assumes the perfect honeycomb lattice, its interaction with the warped layer modifies )the dispersion about the Dirac point. These results explain recent angle-resolved photoemission and carbon core-level shift data and solve the long-standing problem of the interfacial structure of epitaxial graphene on SiC(0001).

Electron standing waves on the GaN(0001)-pseudo (1 × 1) surface: a FT-STM study at room temperature.

We report the direct imaging of standing waves on a GaN(0001)-pseudo (1 × 1) metallic surface, which consists of two atomic Ga layers with the top layer incommensurate. Two types of periodic oscillation are observed by scanning tunneling microscopy at room temperature. The longer wavelength standing waves are due to electron scattering by dislocation-induced steps and two-dimensional InN islands. The localized shorter wavelength waves are attributed to a structural transition of the incommensurate Ga bilayer to a tetrahedral Ga bilayer after the growth of the InN islands.

FLAPW: applications and implementations.

Modern material design involves a close collaboration between experimental and computational materials scientists. To be useful, the theory must be able to accurately predict the stability and properties of new materials, describe the physics of the experiments, and be applicable to new and complex structures-the all-electron full-potential linearized augmented plane wave (FLAPW) is one such method that provides the requisite level of numerical accuracy, albeit at the cost of complexity. Technical aspects and modifications related to the choice of basis functions (energy parameters, core-valence orthogonality, extended local orbitals) that affect the applicability and accuracy of the method are described, as well as an approach for obtaining k-independent matrix elements. The inclusion of external electric fields is illustrated by results for the induced densities at the surfaces of both magnetic and non-magnetic metals, and the relationship to image planes and to nonlinear effects such as second harmonic generation. The magnetic coupling of core hole excitations in Fe, the calculation of intrinsic defect formation energies, the concentration-dependent chemical potentials, entropic contributions, and the relative phase stability of Zr-rich Zr-Al alloys are also discussed.

YCo2: intrinsic magnetic surface of a paramagnetic bulk material.

Here we report on results of a spin-resolved photoelectron spectroscopic (SRPES) study of YCo2 thin films (150 A-thick) grown on a W(110) substrate. The films were prepared by co-deposition of stoichiometric amounts of Y and Co onto a clean W surface followed by thermal annealing leading to (2x2) overstructure with respect to W(110) in the low-energy electron diffraction pattern indicated formation of a structurally ordered YCo2(111) surface. While no clear spin asymmetry was observed for bulk-sensitive SRPES data taken at hnu=1253.6 eV, the more surface-sensitive SRPES data obtained at hnu=21.2 eV photon energy revealed a clear spin-asymmetry probing the validity of the recent theoretical prediction.

The effect of puerperal uterine disease on histopathologic findings and mRNA expression of proinflammatory cytokines of the endometrium in dairy cows.

The aim of this study was to investigate the effect of puerperal uterine disease on histopathologic findings and gene expression of proinflammatory cytokines in the endometrium of postpuerperal dairy cows; 49 lactating Holstein-Friesian cows were divided into two groups, one without (UD-; n = 29) and one with uterine disease (UD+; n = 21), defined as retained fetal membranes and/or clinical metritis. General clinical examination, vaginoscopy, transrectal palpation, and transrectal B-mode sonography were conducted on days 8, 11, 18, and 25 and then every 10 days until Day 65 (Day 0 = day of calving). The first endometrial sampling (ES1; swab and biopsy) was done during estrus around Day 42 and the second endometrial sampling (ES2) during the estrus after synchronization (cloprostenol between days 55 and 60 and GnRH 2 days later). The prevalence of histopathologic evidence of endometritis, according to the categories used here, and positive bacteriologic cultures was not affected by group (P > 0.05), but cows with uterine disease had a higher prevalence of chronic purulent endometritis (ES1; P = 0.07) and angiosclerosis (ES2; P ≤ 0.05) than healthy cows. Endometrial gene expression of IL1α (ES2), IL1ß (ES2), and TNFα (ES1 and ES2) was higher (P ≤ 0.05) in the UD+ group than in the UD- group. In conclusion, puerperal uterine disease had an effect on histopathologic parameters and on gene expression of proinflammatory cytokines in the endometrium of postpuerperal cows, indicating impaired clearance of uterine inflammation in cows with puerperal uterine disease.

Requirements for the formation of a chiral template.

The chemisorptive enantioselectivity of propylene oxide is examined on Pd(111) surfaces templated by chiral 2-methylbutanoate and 2-aminobutanoate species. It has been found previously that chiral propylene oxide is chemisorbed enantiospecifically onto Pd(111) surfaces modified by either (R)- or (S)-2-butoxide. The enantiomeric excess (ee) varied with template coverage, reaching a maximum of approximately 31%. Templating the surface using 2-methylbutanoate, where the chiral center is identical to that in the 2-butoxide species, but is now anchored to the surface by a carboxylate rather than an alkoxide linkage, shows no enantiospecificity. The enantioselectivity is restored when the methyl group is replaced by an amine group, where a maximum ee value of approximately 27% is found. DFT calculations and infrared measurements suggest that the structures of the butyl group on the surface are similar for both 2-butoxide and 2-methylbutanoate species, implying that gross conformational changes are not responsible for differences in chemisorptive enantioselectivity. There is no clear correlation between the location of the chiral center and enantioselectivity, suggesting that differences in the template adsorption site are also not responsible for the lack of enantioselectivity. It is proposed that the 2-butyl group in 2-methylbutanoate species is less rigidly bonded to the surface than that in 2-butoxides, allowing the chiral center to rotate azimuthally. It is postulated that the role of the amino group in 2-aminobutanoate species is to anchor the chiral group to the surface to inhibit azimuthal rotation.