First-principles study of the (0 0 1) surface of cubic SrZrO3

Density functional calculations have been used to investigate the (0 0 1) surface of cubic SrZrO₃ with both SrO and ZrO₂ termination. Surface structure and electronic structure have been obtained. The SrO surface is found to be similar to its counterpart in SrTiO₃, while there are marked differences between the ZrO₂ and TiO₂ terminations in SrZrO₃ and SrTiO₃, respectively, concerning surface relaxation and rumpling. For the ZrO₂-terminated surface of SrZrO₃, the covalency of the interaction between the outmost Zr and the O beneath is enhanced as a result of their bond contraction. The band gap reduction and the presence of the surface states are also discussed in relation with the behavior of the electrostatic potential.     

Bistable Optical Devices Using Laser Diodes Coupled to Interference Filters

A bistable optical device was demonstrated by using the longitudinal mode hopping of the laser diode and the narrow transmission spectrum of an interference filter. The device is capable of converting changes in the wavelength of the laser diode into changes in intensity by transmitting it through the filter. Exclusive OR operation was observed with the use of triple signal outputs. In addition, an optical switch-off phenomenon was confirmed by directly injecting a pulse 500 ps wide into an external dye laser.     

Optical probing of spin polarization of electrons in quantum dot edge channels

We propose an optical method for the investigation of the quantum dot edge channels by utilizing circularly polarized photoluminescence in the integer-quantum-Hall-effect regime. One of the advantages of our method is that the degree of the spin-polarization of the electrons in the inner- and outer-compressible liquids can be probed separately. The observed polarized photoluminescence spectra can be explained by the calculated electron spin-dependent optical transition probabilities based on the local-spin density approximation.     

New many body perturbation method and the Hubbard model

By adapting the functional derivative method developed by Kadanoff and Baym to the Hubbard model, a new perturbation method is formulated. The unperturbed state is defined by the two equations which yield Hubbard's results, while the remainder is given by functional derivatives of the Green's functions which are shown to generate a complete perturbation series. Advantages of this method are discussed.     

One-dimensional migration of interstitial clusters in SUS316L and its model alloys at elevated temperatures

For self-interstitial atom (SIA) clusters in various concentrated alloys, one-dimensional (1D) migration is induced by electron irradiation around 300 K. But at elevated temperatures, the 1D migration frequency decreases to less than one-tenth of that around 300 K in iron-based bcc alloys. In this study, we examined mechanisms of 1D migration at elevated temperatures using in situ observation of SUS316L and its model alloys with high-voltage electron microscopy. First, for elevated temperatures, we examined the effects of annealing and short-term electron irradiation of SIA clusters on their subsequent 1D migration. In annealed SUS316L, 1D migration was suppressed and then recovered by prolonged irradiation at 300 K. In high-purity model alloy Fe-18Cr-13Ni, annealing or irradiation had no effect. Addition of carbon or oxygen to the model alloy suppressed 1D migration after annealing. Manganese and silicon did not suppress 1D migration after annealing but after short-term electron irradiation. The suppression was attributable to the pinning of SIA clusters by segregated solute elements, and the recovery was to the dissolution of the segregation by interatomic mixing under electron irradiation. Next, we examined 1D migration of SIA clusters in SUS316L under continuous electron irradiation at elevated temperatures. The 1D migration frequency at 673 K was proportional to the irradiation intensity. It was as high as half of that at 300 K. We proposed that 1D migration is controlled by the competition of two effects: induction of 1D migration by interatomic mixing and suppression by solute segregation.     

Structural characteristics of polysaccharide-based thermotropic liquid crystals

Main mesomorphic properties of cellulose and cello- and chito-oligosaccharide derivatives are overviewed, and their structuring principles are briefly discussed with some new analyses incorporated.     

Development of Oxidation Sources in Preparation of High-Tc Oxide Superconductor Thin Films Using the Molecular Beam Epitaxy Method

Film preparation of oxide superconductors, mainly of the 1-2-3 (RBa₂Cu₃O_x) and Bi-containing (Bi-Sr-Ca-Cu-O) systems, by evaporation of either metals or metal compounds by low pressure is summarized, with a particular focus on the development of oxidation sources essential to the technique. Oxidizing reagents that enable the oxidation of metal evaporates to take place in high (0·1 to 10_?3 Pa) or even ultra-high (<10_?5 Pa) vacuum are summarized using the experiments of those who tried to apply the molecular beam epitaxy method to atomically controlled fabrication of thin films of the material, especially for device processing. The evaporation in various kinds of oxidizing atmosphere, including the simple method of in situ annealing of the metal layers in oxygen to the more advanced in situ preparation of the films with strong oxidizing reagents such as atomic oxygen, ozone, nitric oxide, etc. along with the thermochemistry of the oxidation of metals by low pressure with these reagents is reviewed.     

Practical separation of silicon isotopes by IRMPD of Si2F6

Large-scale silicon isotope separation based on the IRMPD of natural Si₂F₆ has been carried out using a commercially available high power CO₂ TEA laser and a flow reaction system. The decomposition product SiF₄ containing 19–33% of ³⁰Si was obtained at a production rate of 1.5×10^–2–2.6×10^–2 mol·h^–1, depending on experimental parameters such as laser wavelength, laser fluence, pressure, and flow rate. SiF₄ containing 12% of ²⁹Si was obtained under slightly different conditions, i.e., at a shorter wavelength than that for ³⁰Si. When 39% of Si₂F₆ was decomposed at a slow flow rate, residual Si₂F₆ was found to have 99.7% of ²⁸Si. The production rate was 4.2×10^–2 mol·h^–1.     

First-stage enrichment in CO2-laser-induced13C separation by a two-stage IRMPD process: IRMPD of CHClF2/Br2 mixtures

We have been studying the practical CO₂-laser-induced¹³C separation by a two-stage IRMPD process. The IRMPD of natural CHClF₂ in the presence of Br₂ mainly produced CBr₂F₂, which was found to be highly enriched with¹³C. The yield and¹³C-atom fraction of CBr₂F₂ were examined as functions of pulse number, laser line, laser fluence, total pressure, and Br₂ pressure using a CO₂ TEA laser with an output less than 1 J pulse^–1 in order to optimize experimental conditions for¹³C separation. For example, we obtained CBr₂F₂ at a¹³C concentration of 55% in the irradiation of the mixture of 100-Torr CHClF₂ and 10-Torr Br₂ with the laser radiation at a wavenumber of 1045.02 cm^–1 and at a fluence of 3.4 J cm^–2. The mechanism for the IRMPD is discussed on the basis of observed results. Using 8-J pulses, we were able to obtain 1.9×10^–4 g of¹³C-enriched CBr₂F₂ (¹³C-atom fraction, 47%) per pulse under selected conditions. It is possible to produce 90% or higher¹³C by the second-stage IRMPD of the CBr₂F₂ in the presence of oxygen.