Electronic Structure of Silica Glass under Strong Electric Field

スポンサーリンク

概要

• 論文の詳細を見る

• We tried to apply ab initio calculations on large amorphous structure to investigate the origine of the second harmonics generation from silica galss. We made (Ge doped) (poled) silica glass by molecular dynamics, then we calculated the change of the electronic structures of (Ge doped) (poled) silica glass under the external strong electric field. The changes of these electronic structures such as density of states and electron distribution, were small within our approximation.

• 理論物理学刊行会の論文
• 2000-04-28

著者

• TANAKA Isao

  Department of materials science and engineering, Kyoto University

• ADACHI Hirohiko

  Department of materials science and engineering, Kyoto University

• KAWAMURA KATSUYUKI

  Department of Earth and Planetary Science, Tokyo Institute of Technology

• Tanaka Isao

  Department Of Materials Science And Engineering Kyoto University

• Hirao K

  Department Of Material Chemistry Graduate School Of Engineering Kyoto University

• Hirao K

  Hirao Active Glass Project Erato Jst:department Of Material Chemistry Graduate School Of Engineering

• MAKINO Yukihiro

  Hirao Active Glass Project, ERATO, JST

• HIRAO Kazuyuki

  Hirao Active Glass Project, ERATO, JST

• Tanaka I

  Division Of Biological Science Graduate School Of Science Hokkaido University

• Adachi H

  Kyoto Univ. Kyoto

• Adachi Hirohiko

  Department Of Material Science And Engineering Kyoto University

• Hirao Kazuyuki

  Hirao Active Glass Project Erato Jst:department Of Material Chemistry Graduate School Of Engineering

• Adachi H

  Department Of Physics Kyoto University

• Adachi H

  Central Research Laboratories Matsushita Electric Ind. Co.

• Tanaka I

  Fukui Prefecture Agricultural Experiment Station Fukui Jpn

• Kawamura Katsuyuki

  Department Of Earth And Planetary Science Tokyo Institute Of Technology

• Adachi Hirohiko

  Department Of Chemistry Hyogo University Of Teacher Education

• Makino Yukihiro

  Hirao Active Glass Project Erato Jst

• Tanaka Isao

  Department Of Internal Medicine Suzuka Kaisei Hospital

• Adachi Hirohiko

  Department of Materials Science and Engineering,Kyoto University

関連論文

• Theoretical Investigation of Al K-edge X-ray Absorption Spectra of Al, AlN and Al_2O_3
• セラミックス材料のTHz周波数帯域での特性
• THzテクノロジーに用いる透過分光光学材料 (特集 機能性セラミックス--光学・エネルギー分野のトレンドを追う) -- (光学分野の動向)
• Evaluation of Migration Energy of Lithium Ions in Chalcogenides and Halides by First Principles Calculation
• 相分離を伴うゾル-ゲル法によるイオン性前駆体からのマクロポーラスYAGの作製(水溶液科学に立脚したセラミックス合成プロセス)
• フェムト秒レーザープロッセッシングによる3次元ナノ構造体の創製(ナノ技術を応用した機能性接合)
• レーザーによるガラスの内部構造改質 (特集 レーザ加工を科学する)
• ナノ構造制御・ナノ加工技術による新機能性ガラスの開発と未来
• 1Cp14 フェムト秒レーザーを用いたGABA高生産酵母の育種(代謝工学・メタボローム,一般講演)
• First Principles Study of Core-hole Effect on Fluorine K-edge X-ray Absorption Spectra of MgF_2 and ZnF_2
• STABILITY OF 1-LAYER POLYTYPE OF KAOLIN BY MEANS OF MOLECULAR DYNAMICS SIMULATION
• Plasma Irradiation Effects on Nd-Ce-Cu-O and La-Sr-Cu-O Thin Films
• Superconductivity in Nd-Ce-Cu-O Thin Films
• Synthetic Cationic Amphiphile for Liposome-Mediated DNA Transfection with Less Cytotoxicity
• Chemical Bondings around Intercalated Li Atoms in LiTiX_2 (X=S, Se, and Te)
• PJ-341 Image Quality of Coronary Computed Tomographic Angiography without Beta-blocker Administration for Heart Transplant Recipients(PJ058,CT/MRI (Coronary/Vascular) 1 (I),Poster Session (Japanese),The 73rd Annual Scientific Meeting of The Japanese Circu
• Local Geometry and Energetics of Hydrogen in Orthorhombic SrZrO_3
• Energetics of Hydrogen States in SrZrO_3
• Molecular dynamics simulation of MgSiO_3-Al_2O_3 perovskite
• Estimation of the Dissolved Structures and Condensation Reactivities of Mononuclear Molybdenum(VI) Species in Solution Using the UV-vis Absorption Spectra and Molecular Orbital Calculation DV-Xα
• Electronic Structure of Silica Glass under Strong Electric Field
• Prospective Electrocardiogram-Gated Axial 64-Detector Computed Tomographic Angiography vs Retrospective Gated Helical Technique to Assess Coronary Artery Bypass Graft Anastomosis : Comparison of Image Quality and Patient Radiation Dose
• MOLECULAR DYNAMICS STUDIES ON GUEST MOLECULES IN N_2-, O_2-CLATHRATE HYDRATE
• Sulfur-Bridged Cubane-Type Molybdenum-Cadmium Clusters with Diethyldithiophosphato or Nitrilotriacetato Ligands
• Structural Control of Epitaxially Grown Sputtered PbTiO_3 Thin Films
• Charge-Density Distribution around Fe-Fe Dimer in Copper
• Theoretical Solution Energy of Alkaline Earth Ions in Lanthanum Chromites
• Electronic Structure and Chemical Bondings of MgCr_O_4
• Dilute Ga Dopant in TiO_2 by X-ray Absorption Near-Edge Structure
• Near-edge X-ray Absorption Fine Structure of PdO at O K-edge
• X-ray Absorption Near Edge Structures of Silicon Nitride Thin Film by Pulsed Laser Deposition
• First-principles Calculation of L_3 X-ray Absorption Near Edge Structures (XANES) and Electron Energy Loss Near Edge Structures (ELNES) of GaN and InN Polymorphs
• Local Control and Cosmetic Outcome after Sector Resection with or without Radiation Therapy for Early Breast Cancer
• Surface Morphology of Tl_2Ba_2Ca_2Cu_O_y Thin Films Prepared by Thallium Diffusion Process
• Substitution Effect of Rare Earth Elements for Y in Pb-Sr-Y-Ca-Cu-O with "1212" Structure
• Study on Annealing Treatment and Sr/Ca Ratio for Pb-Sr-Y-Ca-Cu-O Ceramics with "1212" Structure
• In Situ Preparation of Pb-Based Superconducting Thin Films at Low Temperature and Low Oxidizing Atmosphere
• The study of AI-L_23 ELNES with resolution-enhancement software and first-principles calculation
• Electronic Structures and Chemical Bonding of TiX_2 (X=S, Se, and Te)
• Electronic Structure and Chemical Bonding of TiS_2 by Cluster Calculation
• Optical Properties of (InAs)_1/(GaAs)_m Strained-Layer Superlattices
• Interference Effects on Photoreflectance Line Shapes of Excitons in GaAs/AlAs Superlattices
• Photoluminescence Properties of GaAs / AlAs Short-Period Superlattices
• Electronic Mechanism of Ag-Cluster Formation in AgBr and AgI
• Electronic States and Chemical Bondings of an Interstitial Cation in Ionic Compounds AgCl and NaCl
• Electronic States of F-Centers in Alkali Halide Crystals
• Relativistic Change in Bond overlap population for the Study of Relativistic Effects on Bond Length of Diatomic Molecules
• Note on the Contribution of Relativity to Cu_2 Bonding
• Syntheses and Characterization of Cubane-Type Clusters with Molybdenum-Iron-Sulfur (Mo_3FeS_4) or Molybdenum-Nickel-Sulfur (Mo_3NiS_4) Cores. X-Ray Structures of [Mo_3FeS_4(H_2O)_](CH_3C_6H_4SO_3)_4・7H_2O and [Mo_3FeS_4(H_2O)(NH_3)_9]Cl_4, and Discret
• STRESS-STRAIN RESPONSE OF ROCK-FORMING MINERALS BY MOLECULAR DYNAMICS SIMULATION
• Theoretical Study of Si K_β X-ray Fluorescence Spectrum of SiO_2-Na_2O Binary Slag by DV-Xα Molecular Orbital Calculation
• Electronic States of Oxygen Ions of Molten Slags Used for Iron and Steel Making
• Discrete Variational Xα Cluster Calculations. : IV. Application to X-Ray Emission Study
• Inelastic Mean Free Path of Photoelectrons in Ag Determined by Total Reflection X-Ray Photoelectron Spectroscopy
• Vibrational Contribution on Nucleation Free Energy of Cu Precipitates in Fe-Cu System
• Discrete-Variational Hartree-Fock-Slater Calculations of B_N_ with Comparison to C_
• Growth Mechanism of BaTiO_3 Thin Film by Theoretical Calculation of Electronic Structure
• Optical Properties of Bi-Sr-Ca-Cu-O Thin Films
• Chemical Bondings around Intercalated Cr and Fe Atoms in TiS_2
• First Principles Study on Factors Determining Battery Voltages of LiMO_2 (M = Ti-Ni)
• Changes in Chemical Bondings by Li Deintercalation in LiMO_2 (M = Cr, V, Co and Ni)
• Energy Level Structure of LiYF_4 : Dy^ : Crystal Field Analysis
• Calculations of Complete 4f^n and 4f^5d^1 Energy Level Schemes of Free Trivalent Rare-Earth Ions
• Theoretical Calculation for Multiplet Structure of Chromium Ion Pair in Ruby
• Calculation of Multiplet Structure of Ruby Using Explicit Effective Hamiltonian
• Analysis of Covalent Effects on the Multiplet Structure of Ruby Based on First-Principles Cluster Calculations
• 80 K Superconductivity in Bi-Sr-Cu-O Thin Films
• Magnetic Relaxation of High T_c Superconducting Thin Films
• Magnetic Aftereffects in High T_c Superconducting Thin Films
• Higher Order Solution of Nonlinear Waves.: II. Shock Wave Described by Burgers Equation
• Electron Spectroscopy of Nd_Ce_xCuO_(x=0,0.15,and0.23)Thin Films
• Diamagnetic Properties of Nd-Ce-Cu-O Superconducting Thin Films with Electron Carriers
• First-Principles Calculations of Co Impurities and Native Defects in ZnO
• Theoretical Formation Energy of Oxygen-Vacancies in Oxides
• Effect of Oxidation on Chemical Bonding around 3d Transition-Metal Impurities in ZnO
• Primary histiocytic sarcoma of the spleen associated with hemophagocytosis
• The Interaction between Vacancy and 3d-Transition Elements in Dilute Gold Alloys
• Gaussian Quadrature Xα Method for Self-Consistent Hartree-Fock-Slater Equation.I.Application to the Total Energy Calculation of Diatomic Molecule
• Bonding Character of β-LiAl Crystal Containing Li Vacancy
• Discrete Variational X_α Cluster Calculations. III. Application to Transition Metal Complexes
• Grain boundary structure and chemical bonding state of superplastic SiO_2-doped TZP
• Molecular Orbitals for Chemisorption of Sulfur on Copper
• Cluster Model Investigation of Chemisorptions for Chalcogens on Nickel
• Discrete Variational X_a Cluster Calculations.II.Application to the Surface Electronic Structure of MgO
• The Electronic Structure of One-Dimensional (1-D), 2-D, and 3-D Silicon Clusters
• Cluster Calculations of the Electronic Structure of Interstitial Hydrogen in Titanium, Nickel and Palladium
• Hartree-Fock-Slater Model Cluster Calculations. : II. Hydrogen Chemisorption on Transition Metal Surfaces
• Hartree-Fock-Slater Model Cluster Calculations. : I. Transition Metal Surface Clusters
• Hartree-Fock-Slater Model Calculations for Pd Clusters
• Molecular Cluster Calculation for Hydrogen Chemisorption on Ni(100) Surface
• Free-Energy Calculation of Precipitate Nucleation in an Fe-Cu-Ni Alloy
• Simulations on Multilayer Relaxations of Aluminum Surfaces
• Structure and Superconducting Properties of Bi-Sr-Ca-Cu-O Thin Films Annealed at Low Temperatures
• First Principles Calculation of Fe L_-edge X-ray Absorption Near Edge Structures of Iron Oxides
• First-principles Calculation of Transition-metal L_-edge Electron-energy-loss Near-edge structures Based on Direct Diagonalization of the Many-electron Hamiltonian
• First Principles Lattice Dynamics Calculations of Ag+ Doped KX (X = Cl, Br and I)
• Molecular Cluster Approach to Electronic State and Chemical Bonding in Metallic Materials
• Electronic States of Sulfur Doped TiO_2 by First Principles Calculations
• PREFACE
• Special Issue on Grain Boundaries, Interfaces, Defects and Localized Quantum Structures in Ceramics

もっと見る 閉じる

スポンサーリンク