Schottky barrier formation in the low metal coverage limit

A theoretical discussion of the state of the art in the field of Schottky barrier formation is presented. The thin metal layer limit is analyzed for Al and In on GaAs(110), and the adsorption sites are determined as a function of the metal coverage. Intrinsic and extrinsic charge neutrality levels are also discussed for the In-case.     

Far-infrared optical absorption due to surface phonon excitations in small metal particles

In this paper, the role played by the excitation of surface phonons in the far infrared optical absorption of small metallic spheres is explored. We find that for frequencies ranging between 100 cm^-3 and 200 cm^-1 this absorption mechanism is dominating over the ones coming from considering electronic excitations or the Joule heating.     

Haloacetylated enol ethers. 6 [5]. Synthesis of 4,5-trimethylene-4,5-dihydroisoxazoles

The investigation of the effect of the cyclopentane ring on the regiochemistry of the reactions of 2-acetylcyclopentanones 1a-d and β-methoxyvinyl trifluoromethyl ketone derivative 2a with hydroxylamine hydrochloride is reported. The reactions give regiospecifically the 4,5-trimethylene-4,5-dihydroisoxazoles 3a-d in good yields.     

Electron drift mobility in amorphous semiconductor multilayer superlattices

It is proposed that the X-ray intensity I at the forbidden 222 reflection is useful as an order parameter in the phase transition from a diamond-lattice semiconductor to a metal. Available X-ray data as a function of pressure on Si is shown to lend some support to the proposal.     

Kinetics and mechanistic aspects of the Heck reaction promoted by a CN-palladacycle

In the Heck reaction between aryl halides and n-butyl acrylate, the palladacycle {Pd[kappa(1)-C, kappa(1)-N-C=(C(6)H(5))C(Cl)CH(2)NMe(2)](mu-Cl)}(2), 1, is merely a reservoir of the catalytically active Pd(0) species [1](Pd colloids or highly active forms of low ligated Pd(0) species) that undergoes oxidative addition of the aryl halide on the surface with subsequent detachment, generating homogeneous Pd(II) species. The main catalytic cycle is initiated by oxidative addition of iodobenzene to [1], followed by the reversible coordination of the olefin to the oxidative addition product. All the unimolecular subsequent steps are indistinguishable kinetically and can be combined in a single step. This kinetic model predicts that a slight excess of alkene relative to iodobenzene leads to a rapid rise in the Pd(0) concentration while when using a slight excess of iodobenzene, relative to alkene, the oxidative addition product is the resting state of the catalytic cycle. Competitive experiments of various bromoarenes and iodoarenes with n-butyl acrylate catalyzed by 1 and CS, CP, and NCN palladacycles gave the same rho value (2.4-2.5 for Ar-Br and 1.7-1.8 for Ar-I) for all palladacycles employed, indicating that they generate the same species in the oxidative addition step. The excellent fit of the slope with the sigma(0) Hammett parameter and the entropy of activation of -43 +/- 8 J mol(-1) K(-1) are consistent with an associative process involving the development of only a partial charge in the transition state for the oxidative step of iodobenzene.     

Temperature effects on the highly correlated electron gas of a Si-111(1 × 1) surface

The effects of the temperature on the highly correlated two-dimensional electron gas of a Si-111(1 × 1) surface have been analysed within a Hubbard Hamiltonian, going beyond the Hartree-Fock approximation. Our results show that a Kondo-like peak appearing at low T, disappears around 700 K; moreover, we find that the surface chemical potential shifts towards the valence band. All these results offer an explanation to recent experimental data of Yokotsuka et al.