TRANSACTIONS OF THE

MATERIALS RESEARCH SOCIETY

OF JAPAN

Volume 20

Joint Proceedings of the Symposia ofMRS-J., May 22-24, 1996

Executive Editors

RYOICHI YAMAMOTO

HIROSHI YAMAMOTO

CONTENTS

General Preface v

Names of Symposia and Chairmen vii

Symposium BAdvanced Materials for Medical and Pharmaceutical Applications

Optimization of Drug Therapy Based on Molecular Design of Hybrid Bioactive Proteins withWater-soluble Polymers

Y. Kaneda, Y. Tsutsumi, H. Kamada, S. Tsunoda, Y. Yamamoto, T. Kihira,S. Nakagawa and T. Mayumi 1

Synthesis of Novel Aromatic Polymide for BiomaterialsH. Kawakami, J. Takagi, K. Suguu and S. Nagaoka 5

Synthesis and Evaluation of Cell-attachment Activity of RGDS-related MoleculesY. Hirano, K. Madenokouji, A. Nakajima, M. Oka and T. Hayashi 9

Drug Delivery System Using Bioactive Bone Cement Consisting of Bis-GMA Resin and BioactiveGlass Ceramics

M. Sawada, M. Otsuka, Y. Matsuda, T. Nakamura and T. Kokubo 13

Cytoplasmic Delivery Mediated by Liposomes Modified with a Fusogenic PolymerK. KonoandT. Takagisi 17

Development of Fusogenic Liposomes and its Application to Gene TherapyH. Mizuguchi, S. Nakagawa, M. Nakanishi and T. Mayumi 21

Fabrication of a Ti-Al2O3 Functionally Gradient Tooth Root by Dry Jet Spraying of UltrafineParticles

A. Otsuka, H. Tanizaki, M.Niiyama and K. Iwasaki 25

Characterization of a Hydroxyapatite Layer Coated upon a Ti-Al2O3 Composite by Radio-frequency Plasma Spraying

H. Tanizaki, A. Otsuka, M. Niiyama, K. Iwasaki, M. Umedaand A. Motoe 29

Symposium DThe Latest Progress of New Plant Material

Safety of Hinokithiol (Derived from Hiba) in Atopic DersmatitisF. Juji, T. Iwata, H. Nakagawa, K. SaitoandT. Okabe 33

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Development and Application of New Type Joints Composed by Metal Connector and Adhesive inTimber Structures

M. Inoue, Y. Goto, Y. Goto and Y. Eto 36

Thermogravimetric and Differential Thermal Analysis of WoodceramicsM. Kano, M. Momota, T. Okabe, K. Saito and R. Yamamoto 40

Bending Strength Properties and Hardness of WoodceramicsM. Fushitani, T. Hirose, T. Okabe and K. Saito 44

Acoustic Emission Characteristics Generated from Seedling, Adult Tree and Shoot Culture ofConifiers

K. Sato, K. Watanabe, N. Watanabe, M. Fushitani, Y. Motoyama, S. Ogita and M. Kaniwa 48

Mechanical Responses of Wood to Repeated LoadingM. Kohara, K. Abe andT. Okuyama 52

Development and Application of Electro-conductive Adhesive for WoodM. Yamamoto and Y. Wakana 56

Development of Woodceramics ( I ) — Examination of the Manufacturing Condition —T. Okabe, K. Saito, J. Tsuji, K. Shibata and R. Yamamoto 60

Development of Woodceramics (II) — Examination of the Electromagnetic ShieldingCharacteristics —

T. Okabe, K. Saito, J. Tsuji, H. Togawa, Y. Kumagai, K. Shibata and Y. Yamamoto 64

Machining of Woodceramics by High Laser BeamsK. Hata, T. Okabe, K. Saito and M. Otsuka 68

Investigation of Natural Lacquer Sap Based GlueT. Sato, H. Shirakawa, A. Rausch, T. Okabe and K. Saito 72

Improvement of Coating for SoftwoodY. Anazawa, Y. Namizaki, T. Takahashi and Y. Aruga 76

Tribologiel Properties of Woodceramics under ATF Lubricated ConditionK. Hokkirigawa, T. Okabe, K. Saito, M. Seki, Y. Sato, M. Kudo and J. Takahashi 80

Permittivity Characteristics of the WoodceramicsK. Shibata, H. Togawa, M. Sato, T. Okabe, K. Saito and Y. Kumagai 84

Electric Characteristics of the Woodceramics and its ApplicationK. Shibata, T. Okabe and K. Saito 88

Humidity Sensor Characteristics of WoodceramicsK. Kasai, K. Shibata, K. Saito and T. Okabe 92

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Production of Transparent Cellulose Plates by Hydrogen-bond Formation under High PressureT. Endo, R. Kitagawa, J. Hosokawa, H. Kabeya and M. Nishiyama 96

Effect of Corona Discharge Treatment on Acetylation of CelluloseT. Uehara, N. Takahashi, T. Furuno and Y. Oomori 100

Magnetic Measurements of WoodceramicsS. Sakka, D. Seino, K. Kasai, T. Okabe and K. Saito 107

Recovery and Recycle System for Chemicals in Benzylation Process of Cellulosic MaterialsY. Hirabayashi I l l

How to Manufacture and Utilize Compressed WoodM. Inoue, K. Nakata, S. KawaiandM. Norimoto 115

Mechanical Reliability of Woodceramics Baked from Medium Density Fiberboard of PinusRadiata

M. Otsuka, S. Araki, T. Okabe and K. Saito 119

Friction and Wear Properties of Woodceramics at High Sliding VelocityT. Akagaki, K. Hokkirigawa, T. Okabe and K. Saito 123

Studies on the Production and Properties of Board from Sugar Cane RindJ. Pablo, T.Sakuno and Y.Takamura 127

Control of Lacquer Tree Mompa Disease with Extracts from Thujopsis Dolabrata (Aomori Hiba)K. Saito, T. Okabe and K. Midorikawa 131

Control of Chalk Brood Disease with Extracts from Thujopsis Dolabrate (Aomori Hiba)K. Saito, and T. Okabe 135

Development of Efficient System for Extracting Oil from Scrap Woods of Aomori HibaK. Narita, T. Okabe and K. Saito 139

Extraction of Essential Oil Components by CyclodexitrinsH. Takahashi, K. Hara and H. Hashimoto 143

Modification of Plant Materials by Water Soluble ProteinK. Kawarada and M. Shimada 147

Development of the Functional Utilization of Bark PolyphenolsT. Mitsunaga, I. Abe, M. Kontani, H. Ono and T. Tanaka 151

Development of High Efficiency Steam Extraction SystemK. Kasahara, M. Yamamoto, S. Takada, T. Okabe and K. Saito 155

The Relationships between the Structural Difference of Norlignans and ColorationK. Takahashi 159

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Synthesis of Phenolic Lignin Derivatives by Phase-separation Process and their Functions forProtein Immobilization

M. Funaoka, H. IokaandN. Seki 163

Manufacture of Recyclable Composites from Lignocresol and Cellulosic FibersM. Funaoka, M. Maedaand M. Matsubara 167

Study on Carbon Layer Formation on Wood by LaserK. Nagai and T. Iwamoto 171

Symposium EEcomaterials

An LCA of Packing Materials Considering their FunctionsY. Oki 175

Life Cycle Assessment of Thermal Spray Coating for Boiler ComponentsK. Sonoya, Y. Tomisawa and M. Kitagawa 177

Effect of Alloy Elements on Creep Rupture Strength of Conventional Heat Resistant SteelsH. Senbaand Y. Sawaragi 181

Effect of Alloying Elements on the Concentration of Atomic Pairs in the FerriteT. Abe, H. Onodera, K. Kimura, M. Fujita and C. Tanaka 187

Recyclable Design and Heavily Plasticization for an Eutectic Al-Si Cast AlloyO. Umezawa and K. Nagai 190

The Upper and Lower Flow Curves in a Ferrite-martensite Steel for Multi-purpose Use— Predictions and Experiments —

N. Tuchida, S. Kotani, Y. Tomota and K. Nagai 194

Utilization of Dross for Fabrication of AI2O3/A6O6I MMCs by the PLF MethodY. Tomota, H. Ohta, M. Ohta and T. Ohnuki 199

Materials Design of Recyclable Titanium - Aluminum AlloysT. Dceda and M. Maeda 205

A New Approach for Copper Alloy Recycling — Development of Alloy to Alloy Process —T. Yoshida and M. Kahata 208

Preparation of Lightweight High Strength Motars and Concrete Containing Scrapped FRP FinePower

A. Kojima, K. Yanagi, T. Fukushima and S. Fukukawa 213

Electrically Heated Wire Catalyst for Cold Start EmissionT. Nanba, K. Kobayashi, T. Takeishi, N. Azuma, Y. Morita and A. Ueno 223

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Preparation of Polystyrene Foams Dispersing Catalysts for Recycling into StyreneT. Hirose, S. Horikawa, Z. Zhang, Y. Moriokaand A. Ueno 226

Properties of Asphalt Paving Materials with Recycled FRPH. Nitta, I. Nishizaki and H. Sakamoto 230

Symposium FNanoscale Processing — Nanostructure Materials, Fabrication and Device

Impurity Concentration Measurement on MOSFET Cross-Section by Scanning TunnelingSpectroscopy-Atomic Force Microscopy

K.Yamazaki 235

Electron Beam Lithography for Nano-FabricationH. Hiroshima and M. Komuro 239

Nanoscale Evaluation of Width Deviation of Resist Pattern Using Atomic Force MicroscopyM. Nagase, H. Namatsu, K. Kurihara, T. Yamaguchi and T. Makino 243

Nanofabrication Using Polymer Resist MaterialsT. Yoshimura and H. Shiraishi 247

Future Prospects of Nanometer Functional DevicesY. Nishinaand A. Kasuya 251

Nanometer-scale Surface Modification of Nb Thin Film by Atomic Force Microscope (AFM)Nano-oxidation Process and its Application to Single Electron Transistors (SETs)

J. Shirakashi, M. Ishii, K. Matsumoto, N. Miura and M. Konagai 255

Electron Beam Nano Lithography and its Application for 40 nm-gate MOSFETsY. Ochiai, S. Manako, J. Fujita, Y. Ohnishi, S. Samukawa, K. Takeuchi andT. Yamamoto 259

Etching of 10-nm Si Structure Using Self-Assembling Pattern FormationT. TadaandT. Kanayama 263

Analysis of Scanning Near-field Optical Microscope Point Heating for Ultrahigh DensityRecording

M. Miyamoto, T. Shintani and S. Hosaka 267

Symposium GLiquid Crystals and Molecular Self-Organized Materials

Physical and Response Properties of Side-chain Liquid Crystalline Polymers Containing SiloxaneBond in the Spacer Component

Y. Nagase, E. Akiyama, Y. Takamura and T. Minato 271

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Syntheses of New Ionic Liquid Crystal MaterialsY . Haramoto, R. Segawa, S. Ujiie and M. Nanasawa 275

Dynamics of a Cyanobiphenyl Liquid CrystalS. Morino, H. Takahashi and K. Horie 279

Dielectric Relaxation Property and Alignment Behavior of Liquid Crystalline Side-chainPolymethacrylate

K. Araki and S. Ujiie 283

Excitation Energy Transfer and Photoinduced Electron Transfer in Organized Molecular Systemsof Porphyrins

H. Segawa 287

Preparation of Photofunctional Organic - Inorganic NanocompositesH. Tagaya, T. Kuwahara, J. Kadokawa, M. Karasu and K. Chiba 291

Preparation of Polymer Thin Films with Chiral Structure by Polymerization of Liquid CrystallineMonomers

M. Ishii, S. Kurihara and T. Nonaka 295

Steep Electro-optical Properties Enhanced by Smectic-like Local Order in Nematic Liquid CrystalS. Kibe, H. Kikuchi and T. Kajiyama 299

Ferroelectricity and Electro-optical Properties of (Liquid Crystalline Polymer / Low MolecularWeight Ferroelectric Liquid Crystal) Composite System

M. Kawasaki, H. Kikuchi and T. Kajiyama 303

Improvement in Light Switching Speed for (Side-chain Type Liquid Crystalline Polymer/LowMolecular Weight Liquid Crystals) Composite Systems

H. Yamane, H. Kikuchi and T. Kajiyama 307

Novel Synthesis of Liquid-crystalline Diaryldiacetylenes Bearing Long ChainsT. Kitamura, C. H. Lee, Y. Taniguchi and Y. Fujiwara 311

Syntheses of New Ionic Liquid Crystal Compounds Having a 2, 5-Diaryl-l, 3-Dioxane StructureY. Haramoto, Y. Kobayashi, S. Ujiie and M. Nanasawa 315

Ionic Polymers Exhibiting Thermotropic Liquid Crystalline PhasesS. Ujiie and M. Sato 319

Induced Smectic A and C Phases Formed by Liquid Crystalline Binary Mixtures Consisting ofSide-chain Polymer and Twin Compound

S. Ujiie, S. Tanimoto and M. Sato 323

Induction of a Liquid-crystalline Phase for Supramolecular Network Obtained by Self-Assemblyof Nonmesogenic Trifunctional H-bond Donor and Acceptor Molecules

H. Kihara, T. Kato and T. Uryu 327

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Computer Simulations of Dipolar Model MoleculesK. Satoh, S. Mita and S. Kondo 331

Changes in Friction Coefficient by Applying Electric Fields Across Liquid Crystal LubricatingFilms

K. Nakano, Y. Kimura, T. Kato and S. Morishita 335

Preparation of a New Organic-Inorganic Nanocomposite by Surface Modification with InorganicCompound

S. Ogata, H. Tagaya, J. Kadokawa, M. Karasu and K. Chiba 339

Symposium HOptelectronics Materials and Devices

Sensor Materials of Photoconductivity-type Si Applicable to Particle Irradiation EnvironmentsH. Amekura, N. Kishimoto, K. Kono and T. Saito 343

Excited Conductivity and Defect Formation in Photoconductivity-type Si Sensor under ParticleIrradiation

H. Amekura, N. Kishimoto, K. Kono and T. Saito 347

Growth of Crystalline SiC Films under Low Electron Temperatures in Afterglow Plasma RegionUsing Triode Plasma CVD

K.Yasui 351

Studies of a -SiC Thin Film Prepared by Pulsed XeCl Eximer LaserY. Wang, Y. Tang and H. Tang 355

Electrical and Optical Properties of GaSe Thin Film Prepared by RF Magnetron SputteringM. Ohyama, K. Tamada, Y. Suzuki and Y. Kawamata 360

Infra-red Absorption in Hydrogenated Amorphous Carbon(a-C:H) FinnsK. Kitakizaki and Y. Fujita 365

Zinc Phosphide Thin Films Grown by Molecular Bean EpitaxyK. Kakishita, T. Suda, H. Sato and K. Sasaki 369

The Influence of Continuous DC Bias Application on Properties of Ti:LiNbO3 WaveguideDevices

N. Mitsugi, H. Nagataand J. Minowa 373

Phase-separated Structure and Light Shutter Characteristics for (Polymer / Liquid Crystal)Composite Films

H. Jeong, H. Kikuchi and T. Kajiyama 377

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Symposium IClusters and Cluster Solids

Electronic and Structural Properties of Si2o and C20 Based SolidsS. Saito 381

A Unified Picture for Icosahedral Cluster Solids of Third Group ElementsM. Takeda, H. Matsuda, R. Tamura, M. Fujimori, K. Kimura, R. Schmechel andH.Werheit 385

Nanometer-Sized Silicon Particles Synthesized by Laser Ablation of a Silicon Target in Rare GasT. Makimura, T. Sakuramoto, Y. Kunii, N. Ono and K. Murakami 392

Growth of Hydrogenated Si Clusters Using a Quadrupole Ion TrapT. Kanayama and H. Murakami 396

Hydrogenated Silicon Clusters in SitL, PlasmaA. Suzuki 400

Fragmentation of Chalcogen MicroclustersK. Nagaya, T. Hayakawa and M. Yao 404

Giant Alumina Particles Grown in Cluster Flux Produced by Catholic Glow Discharge Coupledwith He Gas Assisted Aggregation

M. Goto, K. Yoshimura, J. Murakami, Y. Tai, K. Igarashi and S. Tanemura 408

Fullerene Production by Carbon Arc Method in Various GasesH. Matsuo, I. Nakagawa, H. Takikawa and T. Sakakibara 412

TEM In-Situ Observation of Carbon Clusters GenerationM. Kusunoki and Y. Ikuhara 416

Research for Controlling the Structures and Properties of Fullerenes by Using the Alkyl ChainK. Kikuchi, M. Ito, H. Nishikawa and K. Yase 420

Recent Advances in Fullerene-Based PolymersR. Malhotra, S. Mehrotra and A. Nigam 423

Fullerene Film Resist for Electron Beam NanolithographyT. Tada and T. Kanayama 427

Clusters and Short-Range Order in GlassesI. Kanazawa 431

Ab Initio Study of Pressure-Induced Restructuring of Nano-Scale Networks made from Carbon orSilicon

K. Kusakabe, Y. Tateyama, T. Ogitsu and S. Tsuneyuki 434

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Theoretical Studies on Molecular and Electronic Structures for Hydrogenated Si and Ge ClustersN. Oyama, T. Takano, E. Ohta, K. Takeda and K. Shiraishi 438

A Theoretical Study on Hydrogenation of Small Silicon ClustersT. Miyazaki, T. Uda and K. Terakura 442

Structural Analysis of Ball-milled Graphite by Molecular Orbital CalculationT. Kaneyoshi, M. Motoyama and T. Tanaka 446

Characterization of Diamond Clusters using TEM and X-ray Diffraction MethodsD.K. Saha, K. Koga, K. Ohshima and H. Takeo 450

Growth and Phse Transition of C6o Monolayer Film and [(C6o)5/(Cu)5]52 Multilayer FilmY. Yoneda, K. SakaueandH. Terauchi 454

Electronic Properties and Structure of Clusters in Zeolite CrystalsY. Nozue, Y. Ikemoto, T. Nakano, O. Terasaki, T. Kodaira and H. Takeo 458

Polarized X-ray Absorption Study of Selenium Chains Confined in Channels of CancriniteA.V. Kolobov, H. Oyanagi, V.V. Poborchii, N. Terada and K. Tanaka 462

Photo-Induced Phenomena of AsS and As2S3 Microclusters Encapsulated in ZeoliteY. Katayama, K. Maruyama, M. YaoandH. Endo 466

Study of Polarized Absorption Spectra of Se Chain Incorporated into Zeolite AFIT. Kodaira, M.S. Ivanova, Y. Kiyozumi, H. Takeo, T. Yamamoto andV.V. Poborchii 470

Microoptical Spectroscopy of Potassium Adsorbed in Channel-Type ZeoliteY. Ikemoto, T. Nakano, Y. Nozue, O. Terasaki, T. Kodaira, T. Yamamoto,Y. Kiyozumi and S. Qiu 474

The IR and Raman Activities of the Icosahedral MoleculeK. Shirai 478

NMR Relaxation Study of Na Cluster in Zeolite NaYM. Igarashi, N. Okubo, R. Yoshizaki, T. Kodaira and Y. Nozue 482

Electronic Structure of C24o RingsY. Hashi, K. Esfarjani, S. Itoh, S. Ihara and Y. Kawazoe 486

Electronic and Magnetic Structure of Micro-GraphiteK. Wakabayashi, M. Fujita, K. Nakada and K. Kusakabe 490

Percolation Study in Evaporated Film of Ceo ClusterY. Shionoiri, Y. Xu and Y. Ochiai 493

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Symposium LTransparent Conductive Materials - Guiding Principles and Applications

Deposition of ITO Thin Films on Acryl SubstrateY. Hoshi and J. Oka 497

Deposition of Hetero-Epitaxial In2O3 Thin Films by Molecular Beam EpitaxyN. Taga, M. Maekawa, Y. Shigesato, I. Yasui and T.E. Haynes 501

Present Understanding and Problems of ITO Thin FilmsM. Mizuhashi 505

Preparation and Properties of Transparent Electrical Conductive Thin Film by Sol-Gel Processwith Metal Salts

K. Nishio, S. Miyake, T. Sei andT. Tsuchiya 514

The Relation between the Microstructure, the Orientation and the Electrical Properties of Al-DopedZnO Thin Finns Deposited on the Various Kinds of Substrates by MOCVD

M. Yonetsu, H. Funakubo, O. Sakurai andN. Mizutani 518

Preparation of Aluminum Doped with Zinc Oxide Thin Films by Using RF Sputtering Equipmentwith Asymmetric Electrodes

T. Tsuji, K. Ito, H. Kojima and M. Hirohashi 522

Transparent Conducting Al-Doped ZnO and Ga-Doped ZnO Thin Finns Prepared by LaserAblation Method

A. Suzuki, T. Matsushita, N. Wada, Y. Sakamoto and M. Okuda 526

Spray Pyrolysis of Organotin Compounds for the Growth of Oriented SnO2 Thin Films on GlassSubstrates

T. Kosugi, N. Kamiya, I. Yagi, K. Murakami and S. Kaneko 530

Creation of Transparent Conducting Amorphous Oxides by Ion ImplantationN. Kikuchi, H. Hosono and H. Kawazoe 534

Electrical Conductivities of Mn-Doped Indium Oxide Thin Films in Moist AirY. Takahashi, R. Bel hadj tahal, K. Shimaoka, T. Ban and Y. Ohya 538

Effects of Nodules on Sputtering CharacteristicsK. Utsumi and A. Kondo 542

Low Resistivity ITO Films by Ag AdditionM. Suzuki and Y. Sawada 546

Doping Efficiency of Oxygen Vacancy for ITO and InO Thin FilmsS. Honda, K. Chihara, M. Watamori and K. Oura 550

ITO Films Prepared on C-Axis Oriented A1N Films by Facing Target Sputtering SystemK. Tominaga, T. Ueda, T. Aoandl. Mori 554

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Preparation of Transparent Conducting ZnO Thin Films by Excimer Lasar Ablation MethodK. Imaeda, M. Hiramatsu and M. Nawata 558

First-Principles Study on the Electronic Structure of Indium Tin OxideH. Odaka, S. Iwata, S. Ohnishi, Y. Shigesato, I. Yasui, Y. Hashi and Y. Kawazoe 562

Study on Chemical State of Sn in ITO by Mossbauer SpectrometryN. Yamada, Y. Shigesato, I. Yasui, H. Li, Y. Ujihira and K. Nomura 565

Deposition of Amorphous ITO Films by DC Magnetron SputteringP.K. Song, Y. Shigesato and I. Yasui 569

A New Transparent Conductive Oxide, InGaZnO4

M. Orita, H. Sakai, M. Takeuchi and Y. Yamaguchi 573

The Mechanism of Multi-type Carier Generation of Polycrystal Semiconductor BaInx04 (x=1.58-1.88)

S. Nishiyama, D. Sakaguchi andT. Hattori 577

Preparation of ZnO Film by Photo Atomic Layer DepositionK. Saito, Y. Watanabe, K. Takahashi, T. Matuzawa, B.SH.Sang and M. Konagai 579

Symposium OFerroelectric Ceramics and Thin Films

Preparation of PbTiO3 Thin Films by Plasma-and Photo-Assisted CVDH. Funakubo, Y. Yamazaki, O. Sakurai, K. Shinozaki andN. Mizutani 583

Preparation and Electrical Characteristics of SrTiOs/IrO^r/TiN/Ti StructureM. Nakabayashi, H. Ashida, T. Kimura and S. Ohtani 587

Strain Induced by Electric Field on Piezoelectric CeramicsM. Kiyohara, K. Katou and K. Nagata 591

Lattice Imperfection of Calcium Titanate Thin FilmsH. Haneda, I. Sakaguchi, S. Hishita, K. Oyoshi, T. Aizawa and S.G. Gilbert 595

Preparation of Epitaxiaal LiNbO3 Films by Dipping-Pyrolysis ProcessT. Manabe, S. Kim, I. Yamaguchi, W. Kondo, T. Kumagai and S. Mizuta 599

Surface Characteristics of Tetragonal PZT CeramicsA. Yamada, T. Ogawa, M. Takahashi and Y.K. Chung 603

Pyroelectric Characteristics of La-modified PbTiO3 Thin Films Prepared by Multi-Ion-BeamSputtering

I. Kanno, R. Takayama and T. Hirano 607

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Epitaxial Growth of Aluminum Nitride Thin Films on (111) Si by ECR Dual Ion Beam SputteringH. Okano, N. Tanaka, Y. Kobayashi, Y. Usuki and K. Shibata 611

Fabrication of Ferroelectric Bi4Ti3Oi2 Thin Films by Electron Beam Heating EvaporationS. Okamura, Y. Yagi, G. Fujihashi, S. Ando, K. Mori and T. Tsukamoto 615

Fatigue Characteristics of (Bi,La)4Ti30]2 Thin Films by RF Magnetron SputteringN. Ichinose and M. Nomura 619

Crystallization and Dielectric Properties of Ba(Zr, Ti)O3 Thin Films by MODM. Nishizawa, M. Tsukada, K. Kurihara and K. Kamehara 623

Characterization of SrBi2Ta209 Films Prepared on Si Substrates by Sol-Gel MethodE. Tokumitsu, H. ZamaandH. Ishiwara 627

Preparation of LiTaO3 Thin Film by Sol-Gel MethodY. Ohya, Y. Ogawa, R. Ito, J. Oguri, T. Ban, S. Demachi and Y. Takahashi 632

Annealing Conditions for Preparation of Epitaxial BaTiO3 Thin Films on SrTiO3 by DippingPyrolysis Process

S. Kim, T. Manabe, I. Yamaguchi, T. Kumagai and S. Mizuta 636

Interface and Surface Structures of BaTiO3 Thin Film Grown on SrTiO3 by an MBE MethodH. Shigetani, M. Fujimoto, W. Sugimura, T. Nishihara, O. Ishiyama,M. Shinohara, Y. Matsui and J. Tanaka 640

Structural Analysis of Artificial Superlattice by X-ray Diffraction MethodY. Ishibashi, S. Mitarai, T. Tsurumi and O. Fukunaga 644

Lead Zirconate Titanate Film Synthesized from Sulfate SlurryY. Ohba, K. Arita, E. Sakai and M. Daimon 648

Synthesis of Ba(Mg,/3TaM)O3 Powder by Hydrothermal Method and Characterization ofCeramics

M. Watanabe and T. Yamamoto 652

Detection of 90° -Domain Rotation in PZT Ceramics by X-ray Diffraction MethodY. Kumano, T. Tsurumi, N. Ohashi, T. Kamiya and O. Fukunaga 656

Electrical Anisotropy in Single Crystals of Layer-structuredI. YiandM. Miyayama 660

Reaction and Diffusion between PLZT Ceramics and Ag ElectrodeH. Nagata, H. Haneda, I. Sakaguchi, T. Takenaka and J. Tanaka 664

Effect of Quenching Temperature on the Dielectric Properties of Lead MetaniobateH.S. Lee and T. Kimura 666

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Low-temperature Sintering of Pb(Zr,Ti)O3 Ceramics with BiFeO3 and Ba(CuW)O3 AdditivesD. Dong, D. Mabuchi, T. Kurita, Y. Niwa, K. Murakami and S. Kaneko 670

Piezoelectric Properties of PZT/YTZ CompositeS. Sugihara and M. Fujita 674

Sintering Mechanism and Microwave Dielectric Properties of BaT^Og Ceramics Fabricated byPlasma Active Sintering Method

M. Masuda, A. Baba, M. Ohmori, H. Masumoto and T. Hirai 678

Temperature and Pressure Dependence of Microwave Dielectric Properties of a System(Ba1.xCax)(Mgl/3Ta2/3)O3

H. Dcawa, M. Yamashiro, T. Niwa and T. Omata 682

Preparation and Properties of Ferroelectric BaTiO3 Thin Films on Pt Substrate by Sol-GelMethod

T. Hayashi, H. Takahahsi and T. Sakai 686

Symposium RNovel Semiconducting Materials - Chalcopyrites, Natural Superstructuresand Device Application

Monte Carlo Analysis of Microstructures in Ordered DI-V Semiconductor Alloys; Attempt ofSimulation for the triple period(TR-A) structure

Y. Kangawa,N. KumanoandK. Oki 691

Interface Energetics and Engineering of Cu(In,Ga)Se2 Solar CellsD. Cahen, R. Cohen, D. Gal, G. Hodes, J. Libman, T. Moav, A. Shanzer and H.W. Schock 695

Optical Absorption and ESR Characterization of CuInSe2 and Related CompoundsK. Sato 699

Microstructure of CuInSe2 Thin Film Solar CellsT.Wada 703

GalnNAs/GaAs: Novel III-V SemiconductorM. Kondow, T. Kitatani, Y. Yazawa and M. Okai 707

THM Growth of CuGaSe2 using In Solutions with Non-Stoichiometric SoluteH. Miyake, M. Tajimaand K. Sugiyama 711

Se Vapor Pressure Dependence of Solidifying Points of I - III -VI2 Semiconductors ( I =Cu, Ag;m=Ga,In)

H. Matsushita, H. Jitsukawa and T. Takizawa 715

A New Phase of Chalcopyrite-Type AgGaS2 under High PressuresH. Kitahara, N. Ishizawa, F. Marumo and Y. Noda 719

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Preparation of Oriented CuInSe2 Thin Films at Low Substrate TemperatureY. Okuma, A. Ashida and T. Ito 723

Metalorganic Vapor Phase Epitaxy of CuAlxGai_xSe2 AlloysS. Chichibu, K. Yamaya, H. Nakanishi, S. Shirakata and S. Isomura 727

Composition and Morphology of Cu(In,Ga)Se2 Thin Films Treated by Various SolutionsY. Hashimoto, N. Kohara, T. Negami, N. Nishitani andT. Wada 731

Strain and Temperature Effects on Interdifrusion in InAsP/InP HeterostructuresD.J. Tweet, H. Matsuhata, P. Fons, H. Oyanagi and H. Kamei 735

Possibility of Band-Discontinuity Control at (100) GaAs/AlAs Interfaces by ZnSe InsertionLayers

T. Saito 739

Two Distinct Phases in Ga2Se3 Compound SemiconductorT. Hanada, Y. Nakamura, Y. Watanabe and O. Nittono 743

Strain-Induced Atomic Rearrangements in Ge Overlayers on Si(001)H. Oyanagi, K. Sakamoto and R. Shioda 747

Lattice Strain in Epitaxial CuGaSe2 Layers on GaAs(lOO) SubstratesT. Matsumoto, K. Kiuchi and T. Kato 751

Preparation and Structural Analysis of Ordered Vacancy Compounds in the Cu-In-Se SystemS. Nomura and S. Endo 755

Measurement of Band Discontinuity of ZnSe/GaAs Heterojunction by a Free Electron LaserK. Nishi, H. Ohyama, T. Suzuki, T. Mitsuya and T. Tomimasu 759

Excitation Spectrum of Infrared Photoluminescence in Cd/MnTeK. Takamura, J.D. Park, S. Yamamoto and J. Nakahara 762

Photoluminescence Spectra and Electrical Properties of CuAlSe2 Grown on GaAs Substrate byMolecular Beam Epitaxy

K. Kimoto, T. Yasuda, T. Arai, K. Mochizuki, K. Masumoto and Y. Segawa 766

Second-Harmonic Generation in CuInSe2 and CuGaSe2 Thin Films on GaAs(OOl)D.J. Bottomley, A. Mito, S. Niki and A. Yamada 770

Measurement of Photorefractive Two-beam Coupling Gain of Defect Chalcopyrite CompoundCdGa2Se4

H. Horinaka, S. Mononobe and N. Yamamoto 774

An Investigation on 1.62 eV Photoluminescence of CuGaSe2 Films Grown by Molecular BeamEpitaxy

A. Yamada, Y. Makita, S. Niki, A. Obara, P. Fons and H. Shibata 778

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Photoreflectance Characterization of Lattice Strain in Wide-Gap Cu-IH-VI 2 Epitaxial LayersS. Shirakata, S. Isomura and S. Chichibu 782

Symposium TComputational Approaches to Complex Systems in Materials

Defect Energies by Semi-empirical Tight Binding Methods without Explicit Pairwise TermS.R. Nishitani 787

Behavior of the Initially Perfect F C C . Crystal under Homogeneous DeformationS.V. Demitriev, A.A.Ovcharov, M.D. Starostenkov and T. Shigenari 791

Computer Simulation of Dislocation Loops in Cu and FeE. Kuramoto and T. Tsutsumi 795

Meso-mechanics Approach to the Analysis of Dislocation Accumulation in Metal MicrostructuresT. Ohashi 799

Molecular Dynamics Study on Liquid-to-Amorphous-to-Crystal Transitions in Ti-Al AlloysM. ShimonoandH. Onodera 803

Molecular Dynamic Simulation on the Grain Boundary Structure of Polycrystalline ZirconiaH. Ogawa, N. Sawaguchi and F. Waki 807

A Study of Phase Separation Process with Elastic Constrains by Monte Carlo Method Combinedwith Static Variational Method

H. Dceda and H. Matsuda 811

First-principles Calculations of Defect Energies MetalsT. Hoshino, R. Zeller, P.H. Dederichs and T. Asada 815

First-principle Analysis of Chemical Reactions between Metal Oxide Fine Powders and Si(100)Surface in EEM(Elastic Emission Machining)

K. Yamauchi, K. Hirose, H. Goto, M. Sakamoto, K. Yamamura, Y. Sano and Y. Mori 819

Density Functional Calculation of Effect of Silicon Impurity to Aluminum £ =5 [001] Tilt andTwist Grain Boundary

S. Ogata and H. Kitagawa 823

A New Measurement and Ab-initio Molecular Orbital Calculation of WettabilityH. Toyata, T. Ide, H. Yagi, H. Goto, K Endo, K. Hirose and Y. Mori 827

Mechanism of the Generation of Dislocations in the One-Dimensional Flankel-Kontorova CrystalMethod

S.V. Demitriev, L.V. Nauman, M.D. Starostenkov and T. Shigenami 831

- xxUi -

Simulation of Atomic Structure Evolution Solid Argon under Impulsive LoadingA.A. Ovcharov, M.D. Starostenkov, V.I. Masalov and DM. Starostenkov 835

Research of the Binary Alloy AB Atomic Structure Reconstruction MicromechanismsM.D. Starostenkov, V.V. Evstigneev, O.V.Andruhova, N.V. Lomskikh and A.V. Borisov 839

Temperature Dependence of Thermal Expansion by Phonon Virial PressureS. Kotake,Y. Suzuki and M. Senoo 843

Calculation of Thermal Rectification by Linear Response TheoryX. Sun, K. Yoshimoto, S. Kotake, Y. Suzuki and M. Senoo 847

Computer Simulation of Vacancy Migration in CopperK. Sugio, K. Sato and Y. Shimomura 851

Flexible Architecture for Atomic Simulation on the MacintoshO. Hellman, A. Seki and S. Tanaka 855

A New Lattice Model for Si Crystal Growth with Energy Function of Coordination Numbers andBond Angles

R. Sahara, H. Mizuseki, K. Ohno, S. Ueda, T. Fukuda and Y. Kawazoe 859

Adsorption of Hydrogen Atom on Intermetallic Aluminide SurfaceK. Sasanumaand S. Itoh 863

Observation of Metal Atoms Adsorbed on H-terminated Si(OOl) Surfaces by STM/STS and itsConsideration Based on Ab-initio Molecular Orbital Calculations

K. Endo, T. Kataoka, Y. Mori, K. Inagaki, Y. Oshikane, H. Inoue, K. Arima,Y. Masuda and Y. Tatara 867

Chemisorption of H2O on the H-terminated Si(OOl) SurfaceH. Goto, K. Hirose and Y. Mori 871

Investigation of Surface States on Si(OOl) and Si(l 11) Surfaces — Photo-reflectanceMeasurement and Ab-initio Calculation —

K. Inagaki, K. Hirose, K. Sugiyama, K. Endo, H. Goto, T. Kataoka, Y. Mori and Y. Bessho ....875

Ab-initio Structural Optimization of Icosahedral Silicon ClustersH. Eguchi and K. Tsumuraya 879

Separable Pseudopotentials through Double-Exponential IntegrationA. Sawamura, M. Kohyamaand Y. Shimizu 883

Electronic Band Structure of Disordered Fe3MnV.A. Popov 887

Microscopic Constitutive Equations for Plastic Deformation of an Alloy SystemT. Mohri, T. Umeuchi, Y. Seki and T. Suzuki 890

- xxiv -

Application of Continuous CVM to Extended Lattice Defects in MaterialsK.M.-Jindo, R. Kikuchi and R. Thomson 894

Calculation of Atomic and Electronic Structures of Dislocations in Si:Nonorthgonal TMBDMethod

K.M.-Jindo, M. Menon and K.R. Subbaswamy 898

Stabilization of 1:1 Phyllosilicate Structure Due to Distortion as Investigated by SemiempiricalMolecular Orbital Method

K. Iwafuchi and S. Nabeshima 902

Electronic States of Dopants in Diamond Calculated by a DV-Xa MethodN. Ohashi, J. Tanaka and O. Fukunaga 906

Electronic States of F-and OH-Apatite Studies by a DV- Xa MethodJ. Tanaka, Y. Suetsugu and N. Ohashi 910

Simplified Sum-Over-States Calculations and Missing-Orbital Analysis on MolecularHyperpolarizability

M. Tomonari, N. Ookubo and T. Takeda 914

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