Solid-phase epitaxy of CaSi2 on Si(1 1 1) and the Schottky-barrier height of CaSi2/Si(1 1 1)

Thin Ca films were evaporated on Si(1 1 1) under UHV conditions and subsequently annealed in the temperature range 200–650 °C. The interdiffusion of Ca and Si was examined by ex situ Auger depth profiling. In situ monitoring of the Si 2p core-level shift by X-ray photoemission spectroscopy (XPS) was employed to study the silicide formation process. The formation temperature of CaSi₂ films on Si(1 1 1) was found to be about 350 °C. Epitaxial growth takes place at T≥400 °C. The morphology of the films, measured by atomic force microscopy (AFM), was correlated with their crystallinity as analyzed by X-ray diffraction (XRD). According to measurements of temperature-dependent I–V characteristics and internal photoemission the Schottky-barrier height of CaSi₂ on Si(1 1 1) amounts to qΦ_Bn=0.25 eV on n-type and to qΦ_Bp=0.82 eV on p-type silicon.     

Sharp estimates in terms of moduli of smoothness for compound cubature rules

Summary In 1980 Dahmen-DeVore-Scherer introduced a modulus of continuity which turns out to reflect invariance properties of compound cubature rules effectively. Accordingly, sharp error bounds are derived, the existence of relevant counterexamples being a consequence of a quantitative resonance principle, established previously.     

On the density of the space of continuous and uniformly continuous functions

For X a metrizable space and (Y,ρ) a metric space, with Y pathwise connected, we compute the density of (C(X,(Y,ρ)),σ)—the space of all continuous functions from X to (Y,ρ), endowed with the supremum metric σ. Also, for (X,d) a metric space and (Y,‖⋅‖) a normed space, we compute the density of (UC((X,d),(Y,ρ)),σ) (the space of all uniformly continuous functions from (X,d) to (Y,ρ), where ρ is the metric induced on Y by ‖⋅‖). We also prove that the latter result extends only partially to the case where (Y,ρ) is an arbitrary pathwise connected metric space.To carry such an investigation out, the notions of generalized compact and generalized totally bounded metric space, introduced by the author and A. Barbati in a former paper, turn out to play a crucial rôle. Moreover, we show that the first-mentioned concept provides a precise characterization of those metrizable spaces which attain their extent.     

Coxeter complexes and graph-associahedra

Given a graph Γ, we construct a simple, convex polytope, dubbed graph-associahedra, whose face poset is based on the connected subgraphs of Γ. This provides a natural generalization of the Stasheff associahedron and the Bott-Taubes cyclohedron. Moreover, we show that for any simplicial Coxeter system, the minimal blow-ups of its associated Coxeter complex has a tiling by graph-associahedra. The geometric and combinatorial properties of the complex as well as of the polyhedra are given. These spaces are natural generalizations of the Deligne-Knudsen-Mumford compactification of the real moduli space of curves.     

On extremally disconnected topological groups

We introduce the notion of a partially selective ultrafilter and prove that (a) if G is an extremally disconnected topological group and p is a converging nonprincipal ultrafilter on G containing a countable discrete subset, then p is partially selective, and (b) the existence of a nonprincipal partially selective ultrafilter on a countable set implies the existence of a P-point in ω^∗. Thus it is consistent with ZFC that there is no extremally disconnected topological group containing a countable discrete nonclosed subset.     

General strategy for a short and efficient synthesis of 3-hydroxy-4-methylprolines (HMP)

The non-proteinogenic amino acid 3-hydroxy-4-methylproline (HMP) is an active constituent of some potent antimicrobials including echinocandins, nostopeptins, pneumocandins, sporiofungin and mulundocandins. A synthesis has been achieved in 10 steps with 29% overall yield; the Evans’ aldol reaction using Crimmins’ modified method was pivotal to the success of the strategy.     

Remote stereocontrol by the sulfinyl group: Mukaiyama aldol reactions of (S)-2-[2-(p-tolylsulfinyl)phenyl]acetaldehyde in the asymmetric synthesis of β-hydroxyacids and 1,3-diols

(S)-2-[2-(p-Tolylsulfinyl)phenyl]acetaldehyde reacts with different O-silylated ketenethioacetals in the presence of Yb(OTf)₃ yielding β-hydroxythioesters in high yields and diastereoselectivities. The obtained compounds were readily transformed into β-hydroxyacids and their corresponding diols. These Mukaiyama aldol reactions are a direct evidence of the ability of the sulfinyl group to control 1,5- and 1,6-asymmetric induction processes.     

Anisotropy of two-photon absorption in gallium selenide at 1064 nm

The Bridgman method is used to grow single crystals of ε-GaSe. The two-photon absorption (TPA) coefficient β was measured for especially un-doped crystals at room temperature for the ordinary o-ray (β_⊥) and extraordinary e-ray (β_∥) using single-wavelength excitation by a Nd:YVO₄ laser at 1.064 μm with a pulse duration of 10 ps and a repetition rate of 81 MHz. No large anisotropy was observed for the TPA coefficients between the two geometries. The TPA coefficients were found to be β_⊥ = 1.07 × 10⁻⁹ cm/W and β_∥ = 1.88 × 10⁻⁹ cm/W. It was found that doping slightly increases the TPA coefficient. The value of the TPA for crystals doped with 0.5 at.% of Tl is β_⊥ = 7.56 × 10⁻⁹ cm/W.     

Effective magnetic properties of a composite material with circular conductive elements

Effective magnetic properties of a composite meta-material consisting of periodically arranged circular conductive elements are studied theoretically. A general expression for the effective bulk permeability is obtained with mutual effects and lattice ordering being taken into account. The resonance frequency of the permeability is found to be strongly dependent on the size and shape of the unit cell. Frequency dispersion of the permeability is studied with special attention paid to the frequency range, where negative values of the permeability are possible. Corresponding recommendations for optimisation of the meta-materials with negative permeability are made. The results are confirmed by numerical simulations of the finite structure behaviour in an external magnetic field. Received 19 April 2002 Published online 31 July 2002     

Structures and stability of Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>C and Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>N clusters

We report results of the atomic and electronic structures of Al₇C cluster using ab initio molecular dynamics with ultrasoft pseudopotentials and generalized gradient approximation. The lowest energy structure is found to be the one in which carbon atom occupies an interstitial position in Al₇ cluster. The electronic structure shows that the recent observation [Chem. Phys. Lett. 316, 31 (2000)] of magic behavior of Al₇C^- cluster is due to a large highest occupied and lowest unoccupied molecular orbital (HOMO-LUMO) gap which makes Al₇C^- chemically inert. These results have further led us to the finding of a new neutral magic cluster Al₇N which has the same number of valence electrons as in Al₇C^- and a large HOMO-LUMO gap of 1.99 eV. Further, calculations have been carried out on (Al₇N)₂ to study interaction between magic clusters. Received 28 July 2001