576 research outputs found
Goitre and Iodine Deficiency in Europe
The prevalence of endemic iodine-deficiency goitre in Europe has been reduced in many areas by the introduction of iodination programmes. Recent reports, however, show that goitre remains a significant problem and that its prevalence has not decreased in a number of European countries. Hetzel1 has pointed out that the high global prevalence of iodine-deficiency disorders could be eradicated within 5-10 years by introduction of an iodised salt programme. The current World Health Organisation recommendations for iodine intake are between 150 and 300 ÎĽg/da
First-principles calculations of the structural, electronic, vibrational and magnetic properties of C_{60} and C_{48}N_{12}: a comparative study
In this work, we perform first-principles calculations of the structural,
electronic, vibrational and magnetic properties of a novel azafullerene. Full geometrical optimization shows that is characterized by several distinguishing features: only
one nitrogen atom per pentagon, two nitrogen atoms preferentially sitting in
one hexagon, symmetry, 6 unique nitrogen-carbon and 9 unique
carbon-carbon bond lengths. The highest occupied molecular orbital of is a doubly degenerate level of symmetry and its
lowest unoccupied molecular orbital is a nondegenerate level of
symmetry. Vibrational frequency analysis predicts that has in total 116 vibrational modes: 58 infrared-active and 58
Raman-active modes. is also characterized by 8
and 2 NMR spectral signals. Compared to , shows an enhanced third-order optical
nonlinearities which implies potential applications in optical limiting and
photonics.Comment: a long version of our manuscript submitted to J.Chem.Phy
Interfacial charge transfer in nanoscale polymer transistors
Interfacial charge transfer plays an essential role in establishing the
relative alignment of the metal Fermi level and the energy bands of organic
semiconductors. While the details remain elusive in many systems, this charge
transfer has been inferred in a number of photoemission experiments. We present
electronic transport measurements in very short channel ( nm)
transistors made from poly(3-hexylthiophene) (P3HT). As channel length is
reduced, the evolution of the contact resistance and the zero-gate-voltage
conductance are consistent with such charge transfer. Short channel conduction
in devices with Pt contacts is greatly enhanced compared to analogous devices
with Au contacts, consistent with charge transfer expectations. Alternating
current scanning tunneling microscopy (ACSTM) provides further evidence that
holes are transferred from Pt into P3HT, while much less charge transfer takes
place at the Au/P3HT interface.Comment: 19 preprint pages, 6 figure
Lifetime of d-holes at Cu surfaces: Theory and experiment
We have investigated the hole dynamics at copper surfaces by high-resolution
angle-resolved photoemission experiments and many-body quasiparticle GW
calculations. Large deviations from a free-electron-like picture are observed
both in the magnitude and the energy dependence of the lifetimes, with a clear
indication that holes exhibit longer lifetimes than electrons with the same
excitation energy. Our calculations show that the small overlap of d- and
sp-states below the Fermi level is responsible for the observed enhancement.
Although there is qualitative good agreement of our theoretical predictions and
the measured lifetimes, there still exist some discrepancies pointing to the
need of a better description of the actual band structure of the solid.Comment: 15 pages, 7 figures, 1 table, to appear in Phys. Rev.
On the interpretation of spin-polarized electron energy loss spectra
We study the origin of the structure in the spin-polarized electron energy
loss spectroscopy (SPEELS) spectra of ferromagnetic crystals. Our study is
based on a 3d tight-binding Fe model, with constant onsite Coulomb repulsion U
between electrons of opposite spin. We find it is not the total density of
Stoner states as a function of energy loss which determines the response of the
system in the Stoner region, as usually thought, but the densities of Stoner
states for only a few interband transitions. Which transitions are important
depends ultimately on how strongly umklapp processes couple the corresponding
bands. This allows us to show, in particular, that the Stoner peak in SPEELS
spectra does not necessarily indicate the value of the exchange splitting
energy. Thus, the common assumption that this peak allows us to estimate the
magnetic moment through its correlation with exchange splitting should be
reconsidered, both in bulk and surface studies. Furthermore, we are able to
show that the above mechanism is one of the main causes for the typical
broadness of experimental spectra. Finally, our model predicts that optical
spin waves should be excited in SPEELS experiments.Comment: 11 pages, 7 eps figures, REVTeX fil
Raman scattering in C_{60} and C_{48}N_{12} aza-fullerene: First-principles study
We carry out large scale {\sl ab initio} calculations of Raman scattering
activities and Raman-active frequencies (RAFs) in
aza-fullerene. The results are compared with those of .
Twenty-nine non-degenerate polarized and 29 doubly-degenerate unpolarized RAFs
are predicted for . The RAF of the strongest Raman
signal in the low- and high-frequency regions and the lowest and highest RAFs
for are almost the same as those of .
The study of reveals the importance of electron correlations and
the choice of basis sets in the {\sl ab initio} calculations. Our best
calculated results for with the B3LYP hybrid density functional
theory are in excellent agreement with experiment and demonstrate the desirable
efficiency and accuracy of this theory for obtaining quantitative information
on the vibrational properties of these molecules.Comment: submitted to Phys.Rev.
Pion Generalized Dipole Polarizabilities by Virtual Compton Scattering
We present a calculation of the cross section and the event generator of the
reaction . This reaction is sensitive to the pion
generalized dipole polarizabilities, namely, the longitudinal electric
, the transverse electric , and the magnetic
which, in the real-photon limit, reduce to the ordinary electric
and magnetic polarizabilities and , respectively.
The calculation of the cross section is done in the framework of chiral
perturbation theory at . A pion VCS event generator has been
written which is ready for implementation in GEANT simulation codes or for
independent use.Comment: 33 pages, Revtex, 15 figure
Pion Dynamics at Finite Temperature
The pion decay constant and mass are computed at low temperature within
Chiral Perturbation Theory to two loops. The effects of the breaking of Lorentz
Symmetry by the thermal equilibrium state are discussed. The validity of the
Gell-Mann Oakes Renner relation at finite temperature is examined.Comment: 27 pages LaTeX and 7 figures in ps forma
The periodicity of phytoplankton in Lake Constance (Bodensee) in comparison to other deep lakes of central Europe
Phytoplankton periodicity has been fairly regular during the years 1979 to 1982 in Lake Constance. Algal mass growth starts with the vernal onset of stratification; Cryptophyceae and small centric diatoms are the dominant algae of the spring bloom. In June grazing by zooplankton leads to a lsquoclear-water phasersquo dominated by Cryptophyceae. Algal summer growth starts under nutrient-saturated conditions with a dominance of Cryptomonas spp. and Pandorina morum. Depletion of soluble reactive phosphorus is followed by a dominance of pennate and filamentous centric diatoms, which are replaced by Ceratium hirundinella when dissolved silicate becomes depleted. Under calm conditions there is a diverse late-summer plankton dominated by Cyanophyceae and Dinobryon spp.; more turbulent conditions and silicon resupply enable a second summer diatom growth phase in August. The autumnal development leads from a Mougeotia — desmid assemblage to a diatom plankton in late autumn and winter.
Inter-lake comparison of algal seasonality includes in ascending order of P-richness Königsee, Attersee, Walensee, Lake Lucerne, Lago Maggiore, Ammersee, Lake Zürich, Lake Geneva, Lake Constance. The oligotrophic lakes have one or two annual maxima of biomass; after the vernal maximum there is a slowly developing summer depression and sometimes a second maximum in autumn. The more eutrophic lakes have an additional maximum in summer. The number of floristically determined successional stages increases with increasing eutrophy, from three in Königsee and Attersee to eight in Lake Geneva and Lake Constance
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