Ten-dimensional wave packet simulations of methane scattering

We present results of wavepacket simulations of scattering of an oriented methane molecule from a flat surface including all nine internal vibrations. At a translational energy up to 96 kJ/mol we find that the scattering is almost completely elastic. Vibrational excitations when the molecule hits the surface and the corresponding deformation depend on generic features of the potential energy surface. In particular, our simulation indicate that for methane to dissociate the interaction of the molecule with the surface should lead to an elongated equilibrium C--H bond length close to the surface.Comment: RevTeX 15 pages, 3 eps figures: This article may be found at http://link.aip.org/link/?jcp/109/1966

Injection and detection of spin in a semiconductor by tunneling via interface states

Injection and detection of spin accumulation in a semiconductor having localized states at the interface is evaluated. Spin transport from a ferromagnetic contact by sequential, two-step tunneling via interface states is treated not in itself, but in parallel with direct tunneling. The spin accumulation induced in the semiconductor channel is not suppressed, as previously argued, but genuinely enhanced by the additional spin current via interface states. Spin detection with a ferromagnetic contact yields a weighted average of the spin accumulation in the channel and in the localized states. In the regime where the spin accumulation in the localized states is much larger than that in the channel, the detected spin signal is insensitive to the spin accumulation in the localized states and the ferromagnet probes the spin accumulation in the semiconductor channel.Comment: 7 pages, 2 figures. Theory onl

Thermal spin current and magnetothermopower by Seebeck spin tunneling

The recently observed Seebeck spin tunneling, the thermoelectric analog of spin-polarized tunneling, is described. The fundamental origin is the spin dependence of the Seebeck coefficient of a tunnel junction with at least one ferromagnetic electrode. Seebeck spin tunneling creates a thermal flow of spin-angular momentum across a tunnel barrier without a charge tunnel current. In ferromagnet/insulator/semiconductor tunnel junctions this can be used to induce a spin accumulation (\Delta \mu) in the semiconductor in response to a temperature difference (\Delta T) between the electrodes. A phenomenological framework is presented to describe the thermal spin transport in terms of parameters that can be obtained from experiment or theory. Key ingredients are a spin-polarized thermoelectric tunnel conductance and a tunnel spin polarization with non-zero energy derivative, resulting in different Seebeck tunnel coefficients for majority and minority spin electrons. We evaluate the thermal spin current, the induced spin accumulation and \Delta\mu/\Delta T, discuss limiting regimes, and compare thermal and electrical flow of spin across a tunnel barrier. A salient feature is that the thermally-induced spin accumulation is maximal for smaller tunnel resistance, in contrast to the electrically-induced spin accumulation that suffers from the impedance mismatch between a ferromagnetic metal and a semiconductor. The thermally-induced spin accumulation produces an additional thermovoltage proportional to \Delta\mu, which can significantly enhance the conventional charge thermopower. Owing to the Hanle effect, the thermopower can also be manipulated with a magnetic field, producing a Hanle magnetothermopower.Comment: 10 pages, 3 figures, 1 tabl

On the efficient numerical solution of lattice systems with low-order couplings

We apply the Quasi Monte Carlo (QMC) and recursive numerical integration methods to evaluate the Euclidean, discretized time path-integral for the quantum mechanical anharmonic oscillator and a topological quantum mechanical rotor model. For the anharmonic oscillator both methods outperform standard Markov Chain Monte Carlo methods and show a significantly improved error scaling. For the quantum mechanical rotor we could, however, not find a successful way employing QMC. On the other hand, the recursive numerical integration method works extremely well for this model and shows an at least exponentially fast error scaling

Reduced neurosteroid potentiation of GABAA receptors in epilepsy and depolarized hippocampal neurons

OBJECTIVE: Neurosteroids regulate neuronal excitability by potentiating γ-aminobutyric acid type-A receptors (GABARs). In animal models of temporal lobe epilepsy, the neurosteroid sensitivity of GABARs is diminished and GABAR subunit composition is altered. We tested whether similar changes occur in patients with epilepsy and if depolarization-induced increases in neuronal activity can replicate this effect. METHODS: We determined GABAR α4 subunit expression in cortical tissue resected from pediatric epilepsy patients. Modulation of human GABARs by allopregnanolone and Ro15-4513 was measured in Xenopus oocytes using whole-cell patch clamp. To extend the findings obtained using tissue from epilepsy patients, we evaluated GABAR expression and modulation by allopregnanolone and Ro15-4513 in cultured rat hippocampal neurons exposed to high extracellular potassium (HK) to increase neuronal activity. RESULTS: Expression of α4 subunits was increased in pediatric cortical epilepsy specimens encompassing multiple pathologies. The potentiation of GABA-evoked currents by the neurosteroid allopregnanolone was decreased in Xenopus oocytes expressing GABARs isolated from epilepsy patients. Furthermore, receptors isolated from epilepsy but not control tissue were sensitive to potentiation by Ro15-4513, indicating higher expression of α INTERPRETATION: These findings suggest that seizure activity-induced upregulation of

Comparison of trace metal bioavailabilities in European coastal waters using mussels from Mytilus edulis

Mussels from Mytilus edulis complex were used as biomonitors of the trace metals Fe, Mn, Pb, Zn, and Cu at 17 sampling sites to assess the relative bioavailability of metals in coastal waters around the European continent. Because accumulated metal concentrations in a given area can differ temporally, data were corrected for the effect of season before large-scale spatial comparisons were made. The highest concentration of Fe was noted in the North Sea and of Mn in the Baltic. Increased tissue concentrations of Pb were recorded in the mussels from the Bay of Biscay and the Baltic Sea. Low concentrations of metals were determined in the mussels from the Mediterranean Sea and the Northern Baltic. Relatively low geographic variations of Cu and Zn indicate that mussels are able to partially regulate accumulated body concentrations, which means Cu and Zn are, to some extent, independent of environmental concentrations

The electron spectra in the synchrotron nebula of the supernova remnant G 29.7-0.3

EXOSAT results obtained with the imaging instrument (CMA) and the medium energy proportional counters (ME) are discussed. Assuming that the featureless power-law spectrum obtained in the 2 to 10 keV range is synchrotron radiation from relativistic electrons, one derives constraints on magnetic field strength and age of the nebula. The energy spectra of the electrons responsible for the emission in the radio and X-ray ranges are discussed. The great similarity of the physical properties of G 29.7-0.3 and of three synchrotron nebulae containing a compact object observed to pulse in X-rays makes G 29.7 - 0.3 a very promising candidate for further search for pulsed emission. Further observations at infrared wavelengths might reveal the break(s) in the emitted spectrum expected from the radio and X-ray power-law indices and give us more information on the production of the electron populations responsible for the emission of the nebula

InAs-AlSb quantum wells in tilted magnetic fields

InAs-AlSb quantum wells are investigated by transport experiments in magnetic fields tilted with respect to the sample normal. Using the coincidence method we find for magnetic fields up to 28 T that the spin splitting can be as large as 5 times the Landau splitting. We find a value of the g-factor of about 13. For small even-integer filling factors the corresponding minima in the Shubnikov-de Haas oscillations cannot be tuned into maxima for arbitrary tilt angles. This indicates the anti-crossing of neighboring Landau and spin levels. Furthermore we find for particular tilt angles a crossover from even-integer dominated Shubnikov-de Haas minima to odd-integer minima as a function of magnetic field