On the Hartree-Fock approximation to the electronic structure of molecule in the intense radiation field and the strong vibronic coupling

The Hartree-Fock approximation has been generalized to incorporate the nonadiabatic effect of molecular vibration previously by Tachibana et al. Here, we will derive the Hartree-Fock equation which reflects also the nonlinear effect of the infrared radiation field as well by using the Bloch-Nordsieck transformation which was discussed first by Nguyen-Dang and Bandrauk in the field of molecular physics. The Hartree-Fock equation reflects the non-adiabatic coupling between an electron and a molecular vibration and between the electron and a infrared radiation fields. The infrared radiation field also affects the dynamics of nuclear motion.Dedicated to Professor J. Koutecký on the occasion of his 65th birthday     

Waveform stability of a traveling high-field domain in a Gunn diode

We assume that a constant voltage is applied across a sample of a Gunn diode of finite length. When a periodic boundary condition is assumed, the dynamical behavior of the electric field within the sample is described by a nonlinear integral-partial differential equation. By using this equation, we can study the waveform stability of a traveling high-field domain of solitary-wave type which plays an essential role in the Gunn effect. We obtain simple criteria which the sample length and the applied voltage must satisfy for the existence and stability of the high-field domain. The stability analysis is carried out by using Liapunov's second method.     

A structure analysis of Ag-adsorbed Si(111) surface by LEED/CMTA

The Ag induced superstructures on the Si(111) surface have been studied by low energy electron diffraction constant momentum transfer averaging (LEED/CMTA) technique. The vertical displacements of the atoms are determined from the analysis of the specularly reflected (00) beam intensities. Unexpected behavior of the Ag atoms is clarified: For the √3 × √3-Ag surface it is verified that the Ag atoms are embedded in the first double layer of Si, leading to a considerable rearrangement of the substrate. In contrast, for the 3 × 1-Ag surface, the Ag atoms are riding on the Si surface and the reconstruction of the substrate is small.     

LEED-AES study of the AuSi(100) system

The system Au/Si(100) has been studied using LEED and AES. Au films grow as Au(111) | Si(100) having six azimuthally rotated orientations at low deposition temperatures below 50°C after the formation of intermediate gold suicide layers. Crystalline gold silicide thin layers are formed on the Au(111) film after heat treatment at 100–400°C. Two types of suicide LEED pattern observed seem to have no correlation with crystallographic data reported on quenched alloy films. Heat treatment over 450°C leads to agglomeration of the film, producing a series of Au-induced superstructures. Heat treatment of the Au film over 1000°C regenerates the clean Si surface accompanied with many etch pits.     

Initial growth process and surface structure of Ag on Si(111) studied by low-energy Ion-Scattering Spectroscopy (ISS) and LEED-AES

The growth process of silver on a Si(111) substrate has been studied in detail by low-energy ion-scattering spectroscopy (ISS) combined with LEED-AES. Neon ions of 500 eV were used as probe ions of ISS. The ISS experiments have revealed that the growth at room temperature and at high temperature are quite different from each other even in the submonolayer coverage range. The following growth models have been proposed for the respective temperatures. At room temperature, the deposited Ag forms a two-dimensional (2D) island at around 2/3 monolayer (ML) coverage, where the Ag atoms are packed commensurately with the Si(111)1 substrate. One third of the substrate Si surface remains uncovered there. Then it starts to develop into Ag crystal, and at a few ML coverage a 3D island of bulk Ag crystal grows directly on the substrate. An intermediate layer, which covers uniformly the whole surface before the growth of Ag crystal, does not exist. At high temperatures (>~200°C), the well-known Si(111)√3-Ag layer is formed as an intermediate layer, which consists of 2/3 ML of Ag atoms and covers the whole surface uniformly. These Ag atoms are embedded in the first double layer of the Si substrate. It is concluded that the formation of the √3 structure needs relatively high activation energy which may originate from the large displacement of Si atoms owing to the embedment of the Ag atoms, and does not proceed below about 200°C. The most stable state of the Ag atoms on the outermost Si layer is in the shape of an island, both for the Si(111) surface and for the Si(111)√3-Ag surface.     

Conductive polymer-carbon-imidazolium composite: a simple means for constructing solid-state dye-sensitized solar cells

A clay-like conductive material comprising polyaniline-loaded carbon black particles and an ethyleneoxide-substituted imidazolium iodide was prepared. The material was sandwiched between dye-coated porous TiO2 and counter-electrode to form a solid-state dye-sensitized solar cell, which works with overall conversion efficiencies of 3.48% and 4.07% for AM 1.5, 100 mW cm(-2) and 23 mW cm(-2) irradiation, respectively.     

TiCl4 induced anti-Markovnikov rearrangement

Stereoisomeric bicyclic tert-alcohols afforded identical ring-expansion products via cationic anti-Markovnikov rearrangement from perpendicular tert-cations into identical six-membered ring secondary cations by the treatment with TiCl4. These results provide evidence that the reaction takes place by the cationic stepwise mechanism. [reaction: see text]