Ab Initio MO Calculations of Effective Exchange Integrals between Transition-Metal Ions via Oxygen Dianions : Nature of the Copper-Oxygen Bonds and Superconductivity

スポンサーリンク

概要

• 論文の詳細を見る

• The superexchange interaction between transition-metal ions via oxygen dianion was investigated by the ab initio molecular orbital (MO) method. It is found that the magnitude of the effective exchange integral (J_<ab>) for the CuOCu unit is far larger than those of the NiONi, CrOCr and FeOFe units. Implications of this result are discussed in relation to the high T_c superconductivity for Ba-La-Cu-O and R-Ba-Cu-O (R=Y, etc.).

• 社団法人応用物理学会の論文
• 1987-08-20

著者

• Nasu Keiichiro

  Institute For Molecular Science

• YAMAGUCHI Kizashi

  Faculty of Engineering Science, Osaka University

• FUENO Takayuki

  Faculty of Engineering Science, Osaka University

• Fueno T

  Faculty Of Engineering Science Osaka University

• Fueno Takayuki

  Faculty Of Engineering Science Osaka University

• Nasu K

  Institute Of Materials Structure Science Kek : Department Of Materials Structure Science The Graduat

• 山口 浩一

  電気通信大学電気通信学部電子工学科

• Nakasuji K

  Department Of Regulatory Bioorganic Chemistry The Institute Of Scientific And Industrial Research (i

• Takahara Yuuichirou

  Department Of Electronics Yamanashi University:(present Address)toshiba Lighting And Technology Co.

• TAKAHARA Yoichi

  Faculty of Engineering Science, Osaka Univarsity

• Nakasuji Kazuhiro

  Department Of Regulatory Bioorganic Chemistry The Institute Of Scientific And Industrial Research (i

関連論文

• GaAs探針を用いたスピン偏極STMの問題点
• 半導体量子ドット構造の自己組織化成長(第47回物性若手夏の学校(2002年度),講義ノート)
• LQE2000-16 自己組織化InAs量子ドットの高均一化 : ドットサイズの自己制限効果
• GaAs 微細加工層の STM 探針への応用
• Sb原子による表面・界面改質効果を利用したInAs量子ドットの自己形成制御
• Dimeric Hydrogen - Bonded Transition Metal Complex Containing Bidentate Mono - deprotonated 2,2'-Biimidazolate Ligand
• Measurements of LET Distribution and Dose Equivalent onboard the Space Shuttle IML-2 (STS-65) and S/MM#4 (STS-79)
• Radiation Dosimetry Measurements with Real Time Radiation Monitoring Device (RRMD)-II in Space Shuttle STS-79
• Measurements of LET Distribution and Dose Equivalent onboard the Space Shuttle IML-2(STS-65)and S/MM#4(STS-79)
• Dynamic Simulation of Electron-Beam-Induced Chargingup of Insulators
• Estimation of the Surface Magnetic Structure of Materials by Scanning Electron Microscopy
• TEM Observation of Interfaces between Y_2BaCuO_5 Inclusions and the YBa_2Cu_3O_7 Matrix in Melt-Powder-Melt-Growth Processed YBaCuO
• Critical Current Densities of Y_Ca_xBa_2Cu_4O_8 (x=0 and 0.1) Superconducting Ceramics
• High-Resolution Transmission Electron Microscopy of Defects in YBa_2Cu_4O_8
• Phenalenyl-Based Highly Conductive Molecular Systems with Hydrogen-Bonded Networks : Synthesis, Physical Properties, and Crystal Structures of 1,3- and, 1,6-Diazaphenalenes, and Their Protonated Salts and Charge-Transfer Complexes with TCNQ
• Charge-Transfer Complex of a New Acceptor Cyananilate with Tetramethyltetrathiafulvalene, (TMTTF)_2HCNAL
• 高均一量子ドットの自己形成
• Spin-Polarized Scanning Tunneling Microscopy Using Optically Pumped GaAs Tips
• Lifetime and Spin Relaxation Time Measurements of Micro-Fabricated GaAs Tips
• 円偏光励起GaAsマイクロ探針のスピン偏極トンネル電子源への応用
• 光励起GaAs探針を用いたスピン偏極走査型トンネル顕微鏡の試み
• Fabrication of GaAs Microtips and Their Application to Spin-Polarized Scanning Tunneling Microscope
• 光励起GaAsマイクロ探針を用いたNi薄膜表面のスピン偏極STM観察
• 原子間力顕微鏡(AFM)の試作
• 原子間力顕微鏡(AFM)の試作
• Zn and Si Doping in {110} GaAs Epilayers Grown by Metalorganic Chemical Vapor Deposition : Semiconductors and Semiconductor Devices
• Lateral Growth on (110) GaAs Substrates by Metalorganic Chemical Vapor Deposition : Semiconductors and Semiconductor Devices
• Theory of Photoinduced Phase Transitions(Photo-Induced Phase Transitions and their Dynamics)
• Enhancement of Radiation Sensitivity by Glycerol in Human Cultured Anaplastic Thyroid Carcinoma
• The First Metal Complexes of 4, 4'-Biimidazole and 4, 4'-Biimidazolate with Hydrogen-Bonding Networks on the Cu(II) Complexes : 1-D Structures by N-H…X…H-N Hydrogen-Bonding
• MO-CVDによる高抵抗GaAsエピタキシャル層
• MO-CVDによるGaAsのエピタキシャル成長
• A Novel TTF-based Electron-donor with Imidazole-annelation Having Hydrogen-bonding and Proton-transfer Abilities
• TTF-Cytosine Dyad as an Electron-donor Molecule Having Proton-accepting Ability : Formation of Hemiprotonated Cytosine Dimer in I_3^- Salt
• Introduction of Amino Groups into the Dibenzo-TTF π-System : Enhanced Electron-Donating Ability and Intermolecular Hydrogen Bonding
• Transformation of Double Hydrogen-bonding Motifs of TTF-Uracil System by Redox Change
• First Syntheses of Iodinated1,6-Dithiapyrene Derivatives
• Synthesis and Properties of 1,6-Diselenapyrene (DSPY) and Its Methyl Chalcogeno Derivatives
• Variation in Preferred Orientations of TiN Thin Films Prepared by Ion Beam Assisted Deposition
• Consideration of Deformation of TiN Thin Films with Preferred Orientation Prepared by Ion-Beam-Assisted Deposition
• Density of Ar Metastable Atoms on the Discharge Tube Wall Measured by Evanescent Laser Spectroscopy
• A Four-Band Hubbard Model for Doped CuO_5 and Related Clusters. Populations of Holes on Apex Oxygens Determined by the Full VB CI Method
• A Two-Band Hubbard Model for Clusters of Doped Copper Oxides and Other Metal Oxides: Populations of Holes and Spin Densities by the Full VB CI Method
• Extended Hubbard Models for Transition Metal Oxides and Halides: Importance of Spin and Charge Fluctuations in Charge Transfer Metals : Electrical Properties of Condensed Matter
• Rates of Oxygen Isotope Exchange and Ring Opening of Cyclic Sulfinate Esters
• Microwave Properties of Y_1Ba_2Cu_3O_ Step-Edge Josephson Junction Series Arrays
• X-Band Mixing Performance of Y_1Ba_2Cu_3O_ Step-Edge Junction
• I-V Characteristic of YBCO Step-Edge Josephson Junction (Special Section on Superconducting Devices)
• Structural Analysis of a Carbon Nitride Film Prepared by Ion-Beam-Assisted Deposition
• Influence of Deposition Temperatures on Bonding State and Microstructure of Carbon Nitride Thin Films Prepared by Ion-Beam-Assisted Deposition
• Intermediately Correlated Many-electron Systems Studied by Quantum Monte Carlo Method
• Intermediately Correlated Many-electron Systems Studied by Quantum Monte Carlo Method
• Hydrogen-bonded Charge-Transfer Complex of Ethylenediaminoglyoxime Transition Metal Complex with Tetracyanoquinodimethane
• Noncovalent Assembly of TEMPO Radicals Pair-wise Embedded on a DNA Duplex
• Preparation of Polycrystalline Bismuth and Aluminum Substituted Yttrium-Iron Garnet Films by Repetitive Gel Coating on Glass Substrates
• Characterization of Maghemite Thin Films Prepared by Spin-Coating a Gel Solution
• Theory for Photoinduced Ionic-Neutral Structural Phase Transition in Quasi One-Dimensional Organic Molecular Crystal TTF-CA : Condensed Matter: Electronic Properties, etc.
• Extended Peierls-Hubbard Model for One-Dimensional N-Sites N-Electrons System.III.Lattice Relaxation after Optical Excitation in CDW
• Analysis of Apoptosis-related Gene Expression after X-ray Irradiation in Human Tongue Squamous Cell Carcinoma Cells Harboring Wild-type or Mutated p53 Gene
• Confirmation of p53-dependent radio-sensitivity and restoration of radiation-induced p53-dependent apoptosis by glycerol
• Theory for Special Shape of Optical Absorption in Halogen-Bridged Mixed-Valent Metal Complexes
• 83 Effects of DNA-PKcs-targeted siRNA on radio/heat sensitivity in human cancer cells(Radiation sensitivities in cells & tissues, Abstracts of the 46th Annual Meeting of the Japan Radiation Research Society)
• P53-independent enhancement of heat-sensitivity by a surface-active agent, Tween 80, in human cancer cells
• Mutation frequency of Dictyostelium discoideum sporcs exposed to the spase environment
• Possible Organic Analogues to Copper Oxides: Applications of a J-Model : Electrical Properties of Condensed Matter
• Ab initio MO Studies of the Hole Delocalization in Copper Oxides and Related Species: Necessity of the Extended Hubbard Model : Electrical Properties of Condensed Matter
• Ab initio MO Studies on the Correlation and Spin Correlation Effects for Copper-Oxygen and Copper-Halogen Bonds in High-T_c Copper Oxide Superconductors
• Ab Initio MO Calculations of Effective Exchange Integrals between Transition-Metal Ions via Oxygen Dianions : Nature of the Copper-Oxygen Bonds and Superconductivity
• Initial Condition Sensitivity in Photoinduced Structural Phase Transitions : An Iterative Equation for Exciton Proliferation during Lattice Relaxation
• Lattice Relaxation and Time Resolved Polarization of Emission from Localized Electron with Level Crossing
• Lattice Relaxation Dynamics of Excitons and Elementary Nonlinear Processes in Photoinduced Structural Phase Transitions : Aggregation, Growth and Proliferation : Condensed Matter: Electronic Properties, etc.
• Extended Peierls-Hubbard Model for One-Dimensional N-Sites N-Electrons System.I.Phase Diagram by Mean Field Theory
• Theory for Optical Absorption,Direct and Indirect Excitons in BaBiO_3
• クロライド系有機金属を用いた選択MOCVD法によるAlGaAs/GaAs系発光素子の作製
• Magnetic Properties of Sodium-Modified Iron-Oxide Powders Synthesized by Sol-Gel Method
• Many-Polaron Theory for CDW,SDW and Superconducting Phases in One-Dimensional N-Sites N-Elctrons System : Quantum-Classic Crossover
• Difference between Photoinduced Phase and Thermally Excited Phase
• Resonant Raman Scattering in (E × e) Jahn-Teller System
• Tunneling Process from Free State to Self-Trappd State of Exciton
• Enhancement, Reduction and Inversion of Isotope Effects Due to Anharmonic Phonons : Migdal-Eliashberg Theory for Superconductivity
• Multi-Stage Amphoteric Redox Hydrocarbons Based on a Phenalenyl Radical
• Extended Peierls-Hubbard Model for One-Dimensional N-Sites N-Electrons System.II.Effect of Fluctuation,Optical and Magnetic Excitations
• Flash Photolytic Generation of a Dithio Carbocation from 1,3-Dithiolane Derivatives and Its Reaction with Nucleophiles.
• Initial Condition Sensitivity in Photoinduced Structural Phase Transitions — An Iterative Equation for Exciton Proliferation during Lattice Relaxation —
• Structure and Reactivity of α,β-Unsaturated Ethers. XI. Cationic Copolymerization and Acetal Addition of cis- and trans-Sthyl Ethyl Ethers
• Structure and Reactivity of α,β-Unsaturated Ethers. XII. Cationic Copolymerization of Ring-Substituted Styryl Ethyl Ethers
• Reactions of thiols with phenylglyoxal to give thiomandelic S-esters. Formation of hemithioacetals and their rearrangement.
• Photosolvolysis of 2-alkoxy-2-phenyl-1,3-dithiolane.
• Salt effects on the intramolecular Cannizzaro reaction of phenylglyoxal. Specific acceleration by calcium ion.
• Acid-catalyzed hydrolysis of methoxymethyl phenyl sulfoxide without concomitant racemization.
• Influence of boric acid on the hydrolysis rate of a hydroxy Schiff base.
• 25aYD-13 Path-integral theory for photoemission spectra of electron-phonon coupling systems

もっと見る 閉じる

スポンサーリンク