Sulfur adsorption on Fe(1 1 0): a DFT study

The adsorption of atomic S on the Fe(1 1 0) surface is examined using density functional theory (DFT). Three different adsorption sites are considered, including the atop, hollow and bridge sites and the S is adsorbed at a quarter monolayer coverage in a p(2 × 2) arrangement. The hollow site is found to be the most stable, followed by the bridge and atop sites. At all three sites, S adsorption results in relatively minor surface reconstruction, with the most significant being that for the hollow site, with lateral displacements of 0.09 Å. Comparisons between S-adsorbed and pure Fe surfaces revealed reductions in the magnetic moments of surface-layer Fe atoms in the vicinity of the S. At the hollow site, the presence of S causes an increase in the surface Fe d-orbital density of states between 4 and 5 eV. However, S adsorption has no significant effect on the structure and magnetic properties of the lower substrate layers.     

Direct measurement of the spatial Wigner function with area-integrated detection

We demonstrate experimentally a novel technique for characterizing transverse spatial coherence by using the Wigner distribution function. The method is based on the measurement of interference between a pair of rotated and displaced replicas of the input beam with an area-integrating detector, and it provides an optimal signal-to-noise ratio in regimes when array detectors are not available. We analyze the quantum-optical picture of the presented measurement for single-photon signals and discuss possible applications in quantum information processing.     

Photogreying of TiO<Subscript>2</Subscript> nanoparticles

Photogreying, the change in brightness on UV irradiation in the absence of oxygen, of TiO₂ nanoparticulate dispersions is shown to depend on the nature of the liquid, consistent with a surface reaction. Measurements on a series of TiO₂ particles (mainly 75×10 nm) dispersed in, e.g., alkyl benzoate correlate well with those on the same TiO₂’s dispersed in a second liquid (e.g. propan-2-ol). Photogreying in propan-2-ol is paralleled by photocatalytic-oxidation activity, indicating a common origin – UV-generation of charge carriers. Further, photogreying parallels Ti³⁺ formation. Hence, although appearance and the visible spectra of photogreyed particles both differ from those of Ti³⁺ in ≤10 nm colloidal TiO₂, we suggest that photogreying is caused by capture of UV excited electrons to form Ti³⁺. Surface treatment reduces photogreying, and we speculate that differences between uncoated samples reflect differences in the number of potentially reducible Ti’s.     

Formation of Sim and SimCn clusters by C60 sputtering of Si

The secondary ion mass spectrum of silicon sputtered by high energy C₆₀⁺ ions in sputter equilibrium is found to be dominated by Si clusters and we report the relative yields of Si_m⁺ (1 ≤ m ≤ 15) and various Si_mC_n⁺ clusters (1 ≤ m ≤ 11 for n = 1; 1 ≤ m ≤ 6 for n = 2; 1 ≤ m ≤ 4 for n = 3). The yields of Si_m⁺ clusters up to Si₇⁺ are significant (between 0.1 and 0.6 of the Si⁺ yield) with even numbered clusters Si₄⁺ and Si₆⁺ having the highest probability of formation. The abundances of cluster ions between Si₈⁺ and Si₁₁⁺ are still significant (>1% relative to Si⁺) but drop by a factor of ∼100 between Si₁₁⁺ and Si₁₃⁺. The probability of formation of clusters Si₁₃⁺-Si₁₅⁺ is approximately constant at ∼5 × 10⁻⁴ relative to Si⁺ and rising a little for Si₁₅⁺, but clusters beyond Si₁₅ are not detected (Si_m≥16⁺/Si⁺ < 1 × 10⁻⁴). The probability of formation of Si_m⁺ and Si_mC_n⁺ clusters depends only very weakly on the C₆₀⁺ primary ion energy between 13.5 keV and 37.5 keV. The behaviour of Si_m⁺ and Si_mC_n⁺ cluster ions was also investigated for impacts onto a fresh Si surface to study the effects that saturation of the surface with C₆₀⁺ in reaching sputter equilibrium may have had on the measured abundances. By comparison, there are very minor amounts of pure Si_m⁺ clusters produced during C₆₀⁺ sputtering of silica (SiO₂) and various silicate minerals. The abundances for clusters heavier than Si₂⁺ are very small compared to the case where Si is the target.The data reported here suggest that Si_m⁺ and Si_mC_n⁺ cluster abundances may be consistent in a qualitative way with theoretical modelling by others which predicts each carbon atom to bind with 3-4 Si atoms in the sample. This experimental data may now be used to improve theoretical modelling.     

The ν2, 2ν2, 3ν2, ν4, and ν2 + ν4 bands of 15NH3

The ir absorption of gaseous ¹⁵NH₃ between 510 and 3040 cm^?1 was recorded with a resolution of 0.06 cm^?1. The ν₂, 2ν₂, 3ν₂, ν₄, and ν₂ + ν₄ bands were measured and analyzed on the basis of the vibration-rotation Hamiltonian developed by V. ?pirko, J. M. R. Stone, and D. Papou?ek (J. Mol. Spectrosc.60, 159–178 (1976)). A set of effective molecular parameters for the ν₂ = 1, 2, 3 states was derived, which reproduced the transition frequencies within the accuracy of the experimental measurements. For ν₄ and ν₂ + ν₄ bands the standard deviation of the calculated spectrum is about four times larger than the measurements accuracy: a similar result was found for ν₄ in ¹⁴NH₃ by ?. Urban et al. (J. Mol. Spectrosc.79, 455–495 (1980)). This result suggests that the present treatment takes into account only the most significant part of the rovibration interaction in the doubly degenerate vibrational states of ammonia.     

Hollow-core microstructured polymer optical fiber

We have fabricated microstructured polymer optical fibers that guide light in a hollow core using the photonic bandgap mechanism. The hollow core allows the use of polymer fibers to be extended to wavelength ranges where material absorption typically prohibits their use, with attenuation lower than the material loss observed in the infrared. The fabrication method is similar to other microstructured polymer optical fibers, which has favorable implications for the feasibility of manufacturing such bandgap fibers.     

Poisson Groups and Differential Galois Theory of Schroedinger Equation on the Circle

We combine the projective geometry approach to Schroedinger equations on the circle and differential Galois theory with the theory of Poisson Lie groups to construct a natural Poisson structure on the space of wave functions (at the zero energy level). Applications to KdV-like nonlinear equations are discussed. The same approach is applied to 2^nd order difference operators on a one-dimensional lattice, yielding an extension of the lattice Poisson Virasoro algebra.