Growth and structure of heteroepitaxial thin films of homologous compounds RAO3(MO)m by reactive solid-phase epitaxy: Applicability to a variety of materials and epitaxial template layers

A reactive solid-phase epitaxy (R-SPE) method combines deposition of a thick amorphous or polycrystalline layer with a desired chemical composition and post-deposition solid-phase epitaxial growth. The solid-phase epitaxial growth is invoked by thermal annealing with an assistance of a sacrificial layer working as an epitaxial template. Thereby it enables us to grow high-quality epitaxial films of complex oxides whose epitaxial films are not grown by conventional high-temperature growth techniques. It was reported that 2-nm-thick ZnO layers worked as template for growing InGaO₃(ZnO)_m (m = integer) epitaxial films. The present study extended the R-SPE technique to growth of various complex oxides with chemical compositions of RAO₃(MO)_m and to use of various epitaxial template layers. We found that mono oxide epitaxial layers such as In₂O₃ and Ga₂O₃ work as template layers as well. Alternatively, a ZnO epitaxial layer is also applicable to ZnO-free compounds. The films obtained were grown heteroepitaxially on YSZ(111) and single-crystalline when the fabrication conditions are optimized.     

Domain characteristics and chemical bonds of lithium niobate

Domain characteristics such as domain shape, domain switching, and etching rate at Z-surfaces of lithium niobate (LN) single crystals are comprehensively studied from the chemical bonding viewpoint. The present work shows that the domain characteristics are closely correlated to anisotropic bonding behaviors of constituent ions, which may be regarded as a microscopic reflection of detailed conditions of the chemical bonding geometry and strength of Li⁺ and Nb⁵⁺ cations in the LN crystallographic frame.     

LaBGeO5 single crystals in glass and second-harmonic generation

Flower-shaped crystals with diameters of 100–200 μm consisting of LaBGeO₅ (LBGO) single crystals similar to petals were observed in the interior of transparent LBGO surface-crystallized glasses. Each flower-shaped crystal was radially grown from the surface of the included bubbles. A more intense second-harmonic generation was observed from the LBGO crystallized glasses with the flower-shaped LBGO single crystals compared to the samples without such crystals based on the Maker fringe technique and second-harmonic (SH) generation microscopy. The SH intensity for the flower-shaped LBGO single crystals monotonically decreased with increasing temperature up to 350 °C, less than the Curie temperature reported so far (530 °C). It is considered that the internal compressive stress induced by the difference in the thermal expansion between the LBGO single crystal and the corresponding glass affect the ferroelectric property of the flower-shaped LBGO single crystals in glass.     

Full Band Monte Carlo Study for Two-Dimensional Hole Transport in Strained Si p-MOSFETs

Transport properties of the two-dimensional hole gas in inversion layer of strained Si/SiGe p-MOSFETs are investigated using the full-band Monte Carlo simulator based on the nonlocal pseudopotential calculation. The hole mobility is significantly enhanced by the strain in the case of Ge content of ≥20%. Moreover, we also present the high-field transport characteristics of 2D holes. In contrast to the low-field mobility, the hole saturation velocity does not significantly enhanced by the strain.     

Software system of the Earth Simulator

The Earth Simulator (ES) is a large scale, distributed memory, parallel computer system consisting of 640 processor nodes (PN) with shared memory vector multi-processors (64GFLOPS/PN, 5120 APs in total, AP: arithmetic processor). All the nodes are connected via a high speed (16GB/s) single-stage crossbar network called the Interconnection Network (IN).

The operating system for the Earth Simulator is based on SUPER-UX, the UNIX operating system for the SX series scientific supercomputers. In order to realize high-performance parallel processing on the highly parallel machine, the operating system is enhanced for scalability.

The Earth Simulator system is managed as a two-level cluster system called the Super Cluster System. In the Super Cluster System, the Earth Simulator system is divided into 40 clusters (16 PNs/cluster). A single controller called Super Cluster Control Station (SCCS) manages all these clusters. This management system provides Single System Image (SSI) operation, management and job control for the large scale multi-node system.

The Job Scheduler (JS) and NQS running on the SCCS control all jobs of the system. They schedule the resources such as processing nodes and files which have not usually been treated as scheduling resources. This allows efficient scheduling of large scale jobs.

The MPI library (MPI/ES) and the HPF compiler (HPF/ES) are available for distributed parallel programming on the Earth Simulator. MPI/ES conforms to the MPI 2.0 standard and is optimized to exploit the hardware features. HPF/ES conforms to the core part of HPF 2.0 and supports some features of the HPF 2.0 approved extensions and HPF/JA 1.0 extensions. HPF/ES suitably handles the 3-level parallelism of the Earth Simulator system, that is, vectorization, shared-memory parallelization, and distributed-memory parallelization. Moreover, HPF/ES extends the language to easily handle irregular problems.     

Quantum Lattice-Gas Automata Simulation of Electronic Wave Propagation in Nanostructures

We report the two- and three-dimensional quantum lattice-gas automata simulation for one-particle electronic wave propagation in nanostructures. The transmission coefficient of the electronic wave through the two-dimensional quantum point contact is investigated taking account of the surface roughness of the confinement wall. It is demonstrated that the electron transmission is significantly affected by the surface roughness pattern even if the same roughness parameter is assumed. We also perform the three-dimensional simulation, and the wave propagation in the structure like an ultrathin-body MOSFET is visualized.     

Optical measurement in carbon nanotubes formation by pulsed laser ablation

Carbon nanotubes (CNTs) were produced by laser ablation of a graphite composite target in argon and nitrogen ambient gas. To investigate the effect of nitrogen gas on CNTs formation, the plasma plume was examined using optical emission spectroscopy. The vibrational temperature of C₂ molecules was estimated by fitting of a Swan band spectrum. The temperature in N₂ ambient gas is lower than that in Ar ambient gas. In a nitrogen atmosphere, the spectrum intensity of C₂ Swan band was enhanced and CN violet system was also observed. Soot collected in the reaction tube was observed using FE-SEM and TEM. The soot deposited in the nitrogen gas contained more bundled CNTs than those in Ar ambience.     

Combinatorial pulsed laser deposition and thermoelectricity of (La1−xCax)VO3 composition-spread films

La_1−xCa_xVO₃ composition-spread film library was fabricated by combinatorial pulsed laser deposition and their thermoelectric properties were evaluated paralelly by the multi-channel probes of Seebeck coefficient and electric conductivity. Concurrent X-ray analysis verified the formation of solid soluted films in the full composition range (0x1) as judged from the linear variation of the lattice constants. The Seebeck coefficients of La_1−xCa_xVO₃ changed from a large negative value to almost zero with the increase of x, due presumably to the variation of valence in vanadium ions.The power factor in this library was as high as 0.6 μW/cm K², which was obtained at x=0, i.e. pure LaVO₃ grown at 800 °C.     

Magnetic Behavior of Some Rare-Earth Transition-Metal Perovskite Oxide Systems

Magnetic properties were investigated for the rare-earth 3d-transition metal oxides with the perovskite structure. Intriguing magnetic phenomena were reviewed for a few systems:magnetization peak effect in the titanates, magnetization reversal in the chromites and metallic ferromagnetism in the cobahites. The results suggest an important role of the rare-earth ions for the magnetic properties of such complex oxides.     

38. R&D on hydrogen production by high-temperature electrolysis of steam

One of the objectives of the high-temperature engineering test reactor (HTTR) is to demonstrate the effectiveness of high-temperature nuclear heat utilization, which aims to extend the application of nuclear heat to non-electric fields, especially to hydrogen production. As part of the development of the hydrogen production processes, laboratory-scale experiments of a high-temperature electrolysis of steam (HTES) had been carried out with a practical electrolysis tube with 12 solid-oxide cells connected in series. Using this electrolysis tube, hydrogen was produced at the maximum density of 44 N cm³/cm² h at a electrolysis temperature of 950 °C. Thereafter, to improve hydrogen production performance, a self-supporting planar electrolysis cell with a practical size (80 mm × 80 mm of electrolysis area) was fabricated. In the preliminary electrolysis experiment carried out at 850 °C, the planar cell produced hydrogen at the maximum density of 38 N cm³/cm² h, and the energy efficiency was almost as high as that obtained with the electrolysis tube at 950 °C. However, both electrolysis tubes and planar cells did not keep their integrity in one thermal cycle. Durability of the solid-oxide cell against the thermal cycle is one of the key issues of HTES.