Interface energetics and level alignment at covalent metal-molecule junctions: pi-conjugated thiols on gold

The energetics at the interfaces between metal and monolayers of covalently bound organic molecules is studied theoretically. Despite the molecules under consideration displaying very different frontier orbital energies, the highest occupied molecular levels are found to be pinned at a constant energy offset with respect to the metal Fermi level. In contrast, the molecular properties strongly impact the metal work function. These interfacial phenomena are rationalized in terms of charge fluctuations and electrostatics at the atomic length scale as determined by first-principles calculations.     

Decomposition of 1/f noise in Al(x)Ga(1-x)As/GaAs Hall devices

We present a systematic study of the low-frequency noise in micron and submicron Hall devices made from Al(x)Ga(1-x)As/GaAs heterostructures. In a sample with feature size as small as 0.45 microm we observe a nonmonotonic temperature dependence of the noise power spectral densities (PSD's) at temperatures where surface states and deep-level excitations are frozen out. Near the temperature where the noise peaks, the PSD's can be described by a thermally activated two-level random telegraph signal, i.e., the 1/f noise originating from switching events in the highly doped Al(x)Ga(1-x) layer is resolved into a single Lorentzian spectrum.     

Signatures for multi-alpha-condensed states

An experimental way of testing Bose-Einstein condensation of alpha clusters in the atomic nucleus is reported. The enhancement of cluster emission and the multiplicity partition of possible emitted clusters could be direct signatures for the condensed states. The barrier for the emission of clusters, such as (8)Be and (12)C(O(+)(2)), is calculated and compared with the barrier for the sequential emission of 2 or 3alpha particles from the compound nucleus. For the calculations, a simple approach using a folded Woods-Saxon potential is used.     

Observation of a complex nanoscale magnetic structure in a hexagonal Fe monolayer

We have observed a novel magnetic structure in the pseudomorphic Fe monolayer on Ir(111). Using spin-polarized scanning tunneling microscopy we find a nanometer-sized two-dimensional magnetic unit cell. A collinear magnetic structure is proposed consisting of 15 Fe atoms per unit cell with 7 magnetic moments pointing in one and 8 moments in the opposite direction. First-principles calculations verify that such an unusual magnetic state is indeed lower in energy than all solutions of the classical Heisenberg model. We demonstrate that the complex magnetic structure is induced by the strong Fe-Ir hybridization.     

On a bilinear optimization problem in parallel magnetic resonance imaging

This work is concerned with the structure of bilinear minimization problems arising in recovering sub-sampled and modulated images in parallel magnetic resonance imaging. By considering a physically reasonable simplified model exhibiting the same fundamental mathematical difficulties, it is shown that such problems suffer from poor gradient scaling and non-convexity, which causes standard optimization methods to perform inadequately. A globalized quasi-Newton method is proposed which is able to reconstruct both image and the unknown modulations without additional a priori information. Thus the present paper serves as a first contribution toward understanding and solving such bilinear optimization problems.     

Existence and stability of foliations by <Emphasis Type="Italic">J</Emphasis>-holomorphic spheres

We study the existence and stability of holomorphic foliations in dimension greater than 4 under perturbations of the underlying almost-complex structure. An example is given to show that, unlike in dimension 4, J-holomorphic foliations are not stable under large perturbations of almost-complex structure.     

Combinatorial analysis of proofs in projective and affine geometry

The axioms of projective and affine plane geometry are turned into rules of proof by which formal derivations are constructed. The rules act only on atomic formulas. It is shown that proof search for the derivability of atomic cases from atomic assumptions by these rules terminates (i.e., solves the word problem). This decision method is based on the central result of the combinatorial analysis of derivations by the geometric rules: The geometric objects that occur in derivations by the rules can be restricted to those known from the assumptions and cases. This “subterm property” is proved by permuting suitably the order of application of the geometric rules. As an example of the decision method, it is shown that there cannot exist a derivation of Euclid’s fifth postulate if the rule that corresponds to the uniqueness of the parallel line construction is taken away from the system of plane affine geometry.     

Bestimmung der Empfindlichkeit bei Tc-99-NMR-Messungen an einem 250-MHz-Spektrometer

By means of different concentrations the signal-to-noise ratios of Tc-99-NMR spectra were determined applying well measurable Tc-samples [tetrabutylammoniwn pertechnetate, TBA (TcO₄)J and a 250 MHz-spectrometer. The signal-to-noise ratios of the spectra were determined by using the integrated routines of the firm's software and accumulating different number of scans. By fittings of data of the signal-to-noise ratio dependence and by extrapolation the minimum Tc-concentralion could be empirically found out. Applying a duration of measurements of 12 hours about 10^?7 molar concentrations can be determined.     

Dating problems with selected mining lakes and the adjacent groundwater body in Lusatia,Germany

This study presents selected results, applying environmental tracers to investigate lake water–groundwater interactions at two study sites located in Lusatia, Germany. The focus of the investigations were two meromictic pit lakes and their adjacent aquifers. In order to follow hydrodynamic processes between lake and groundwater, mixing patterns within the lakes as well as ages of lake and groundwater, water samples of ground- and lake water were collected at three occasions, representing summer and winter conditions in the aquatic systems. The water samples were analysed for stable isotopes (deuterium, oxygen-18) and tritium and sulphurhexafluoride (SF₆ concentration). Lake water profiles of conductivity and ¹⁸O could validate the permanent stratification pattern of both the lakes. Groundwater data sets showed a heterogeneous local distribution in stable isotope values between rain and lake water. A two-component mixing model had been adopted only from ¹⁸O data to determine lake water proportions in the surrounding groundwater wells in order to correct measured tritium and SF₆ concentrations in groundwater samples. This procedure had been hampered by upstream-located wells indicating strong ¹⁸O enrichment in groundwater samples. However, rough groundwater ages were estimated. For both study sites, Piston flow ages between 12.9 and 27.7 years were calculated. The investigations showed the good agreement between two different environmental dating tools, considering the marginal data sets.