180 research outputs found
Tuning surface metallicity and ferromagnetism by hydrogen adsorption at the polar ZnO(0001) surface
The adsorption of hydrogen on the polar Zn-ended ZnO(0001) surface has been
investigated by density functional {\it ab-initio} calculations. An on top
H(1x1) ordered overlayer with genuine H-Zn chemical bonds is shown to be
energetically favorable. The H covered surface is metallic and spin-polarized,
with a noticeable magnetic moment at the surface region. Lower hydrogen
coverages lead to strengthening of the H-Zn bonds, corrugation of the surface
layer and to an insulating surface. Our results explain experimental
observations of hydrogen adsorption on this surface, and not only predict a
metal-insulator transition, but primarily provide a method to reversible switch
surface magnetism by varying the hydrogen density on the surface.Comment: 4 pages, 3 figure
Coulomb correlation effects in zinc monochalcogenides
Electronic structure and band characteristics for zinc monochalcogenides with
zinc-blende- and wurtzite-type structures are studied by first-principles
density-functional-theory calculations with different approximations. It is
shown that the local-density approximation underestimates the band gap and
energy splitting between the states at the top of the valence band, misplaces
the energy levels of the Zn-3d states, and overestimates the
crystal-field-splitting energy. Regardless of the structure type considered,
the spin-orbit-coupling energy is found to be overestimated for ZnO and
underestimated for ZnS with wurtzite-type structure, and more or less correct
for ZnSe and ZnTe with zinc-blende-type structure. The order of the states at
the top of the valence band is found to be anomalous for ZnO in both
zinc-blende- and wurtzite-type structure, but is normal for the other zinc
monochalcogenides considered. It is shown that the Zn-3d electrons and their
interference with the O-2p electrons are responsible for the anomalous order.
The typical errors in the calculated band gaps and related parameters for ZnO
originate from strong Coulomb correlations, which are found to be highly
significant for this compound. The LDA+U approach is by and large found to
correct the strong correlation of the Zn-3d electrons, and thus to improve the
agreement with the experimentally established location of the Zn-3d levels
compared with that derived from pure LDA calculations
Contrast Mechanisms for the Detection of Ferroelectric Domains with Scanning Force Microscopy
We present a full analysis of the contrast mechanisms for the detection of
ferroelectric domains on all faces of bulk single crystals using scanning force
microscopy exemplified on hexagonally poled lithium niobate. The domain
contrast can be attributed to three different mechanisms: i) the thickness
change of the sample due to an out-of-plane piezoelectric response (standard
piezoresponse force microscopy), ii) the lateral displacement of the sample
surface due to an in-plane piezoresponse, and iii) the electrostatic tip-sample
interaction at the domain boundaries caused by surface charges on the
crystallographic y- and z-faces. A careful analysis of the movement of the
cantilever with respect to its orientation relative to the crystallographic
axes of the sample allows a clear attribution of the observed domain contrast
to the driving forces respectively.Comment: 8 pages, 8 figure
Nuclear spin driven quantum relaxation in LiY_0.998Ho_0.002F_4
Staircase hysteresis loops of the magnetization of a LiY_0.998Ho_0.002F_4
single crystal are observed at subkelvin temperatures and low field sweep
rates. This behavior results from quantum dynamics at avoided level crossings
of the energy spectrum of single Ho^{3+} ions in the presence of hyperfine
interactions. Enhanced quantum relaxation in constant transverse fields allows
the study of the relative magnitude of tunnel splittings. At faster sweep
rates, non-equilibrated spin-phonon and spin-spin transitions, mediated by weak
dipolar interactions, lead to magnetization oscillations and additional steps.Comment: 5 pages, 5 eps figures, using RevTe
Improving Oral Hygiene Skills by Computer-Based Training: A Randomized Controlled Comparison of the Modified Bass and the Fones Techniques
Background: Gingivitis and other plaque-associated diseases have a high prevalence in western communities even though the majority of adults report daily oral hygiene. This indicates a lack of oral hygiene skills. Currently, there is no clear evidence as to which brushing technique would bring about the best oral hygiene skills. While the modified Bass technique is often recommended by dentists and in textbooks, the Fones technique is often recommended in patient brochures. Still, standardized comparisons of the effectiveness of teaching these techniques are lacking.
Methodology/Principal Findings: In a final sample of n=56 students, this multidisciplinary, randomized, examiner-blinded, controlled study compared the effects of parallel and standardized interactive computer presentations teaching either the Fones or the modified Bass technique. A control group was taught the basics of tooth brushing alone. Oral hygiene skills (remaining plaque after thorough oral hygiene) and gingivitis were assessed at baseline and 6, 12, and 28 weeks after the intervention. We found a significant groupĆtime interaction for gingivitis (F(4/102)=3.267; p=0.016; e=0.957; ?2=0.114) and a significant main effect of group for oral hygiene skills (F(2/51)=7.088; p=0.002; ?2=0.218). Fones was superior to Bass; Bass did not differ from the control group. Group differences were most prominent after 6 and 12 weeks.
Conclusions/Significance: The present trial indicates an advantage of teaching the Fones as compared to the modified Bass technique with respect to oral hygiene skills and gingivitis. Future studies are needed to analyze whether the disadvantage of teaching the Bass technique observed here is restricted to the teaching method employed.
Trial Registration: German Clinical Trials Register http://www.drks.de/DRKS0000348
Discovery of rare variants associated with blood pressure regulation through meta-analysis of 1.3 million individuals
Correction: Volume53, Issue5 Page 762-762 DOI: 10.1038/s41588-021-00832-z Published MAY 2021Genetic studies of blood pressure (BP) to date have mainly analyzed common variants (minor allele frequency > 0.05). In a meta-analysis of up to similar to 1.3 million participants, we discovered 106 new BP-associated genomic regions and 87 rare (minor allele frequencyPeer reviewe
Fructan and its relationship to abiotic stress tolerance in plants
Numerous studies have been published that attempted to correlate fructan concentrations with freezing and drought tolerance. Studies investigating the effect of fructan on liposomes indicated that a direct interaction between membranes and fructan was possible. This new area of research began to move fructan and its association with stress beyond mere correlation by confirming that fructan has the capacity to stabilize membranes during drying by inserting at least part of the polysaccharide into the lipid headgroup region of the membrane. This helps prevent leakage when water is removed from the system either during freezing or drought. When plants were transformed with the ability to synthesize fructan, a concomitant increase in drought and/or freezing tolerance was confirmed. These experiments indicate that besides an indirect effect of supplying tissues with hexose sugars, fructan has a direct protective effect that can be demonstrated by both model systems and genetic transformation
Froehlich Polaron and Bipolaron: Recent Developments
It is remarkable how the Froehlich polaron, one of the simplest examples of a
Quantum Field Theoretical problem, as it basically consists of a single fermion
interacting with a scalar Bose field of ion displacements, has resisted full
analytical or numerical solution at all coupling since 1950, when its
Hamiltonian was first written. The field has been a testing ground for
analytical, semi-analytical, and numerical techniques, such as path integrals,
strong-coupling perturbation expansion, advanced variational, exact
diagonalisation (ED), and quantum Monte Carlo (QMC) techniques. This article
reviews recent developments in the field of continuum and discrete (lattice)
Froehlich (bi)polarons starting with the basics and covering a number of active
directions of research.Comment: 131 pages, 17 figures, 409 references, appear in Reports on Progress
in Physic
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