Charge-Density Distribution around Fe-Fe Dimer in Copper
スポンサーリンク
概要
- 論文の詳細を見る
Utilizing the discrete variational Xa cluster calculation (DV-Xa method), thetotal charge-density distribution around an atom-atom pair (dimer) has beenobtained for fcc Cu..Fe. and Cu..Cu. clusters. A remarkable result from thecalculation was the direct indication of the excess charge-density distributionaround the Fe-Fe dimer in copper which was obtained from the difference in thetotal charge-density of Cu..Fe. and Cu..Cu. clusters. Excess charge-densitymainly arises from the o bonding of Fe 3d orbitals within the dimer and showsthe origin of the pairwise interaction in this alloy system.
- 社団法人日本物理学会の論文
- 1983-10-15
著者
-
ADACHI Hirohiko
Department of materials science and engineering, Kyoto University
-
Nasu Saburo
Department Of Metallurgy Faculty Of Engineering Kyoto University
-
Nasu Saburo
Department Of Material Physics Faculty Of Engineering Science Osaka University
-
Adachi Hirohiko
Department Of Material Science And Engineering Kyoto University
-
FUJITA Francisco
Department Materila Physics,Faculty of Engineering Science,Osaka University
-
Adachi Hirohiko
Department Of Chemistry Hyogo University Of Teacher Education
-
Adachi Hirohiko
Department Of Natural Science Hyogo University Of Teacher Education
-
Fujita Francisco
Department Materila Physics Faculty Of Engineering Science Osaka University
-
Fujita Eiichi
Department Of Material Physics Faculty Of Engineering Science Osaka University
-
Fujita Eiichi
Department Materila Physics,Faculty of Engineering Science,Osaka University
関連論文
- 21pGF-12 希土類・アクチノイド系物質のメスバウアー分光による研究(21pGF アクチナイド,領域8(強相関系:高温超伝導,強相関f電子系など))
- 30aTC-10 LaFeAsOの高圧下メスバウアー分光(30aTC 鉄砒素超伝導体5(中性子,NMR),領域8(強相関系:高温超伝導,強相関f電子系など))
- Theoretical Investigation of Al K-edge X-ray Absorption Spectra of Al, AlN and Al_2O_3
- Evaluation of Migration Energy of Lithium Ions in Chalcogenides and Halides by First Principles Calculation
- 23aGC-4 高圧下におけるSr_3Fe_2O_5のメスバウアー分光(23aGC 酸化物・f電子系磁性,領域3(磁性,磁気共鳴))
- 22pPSA-7 平面四配位構造をとる鉄酸化物の高圧メスバウアー分光(22pPSA 領域3ポスターセッション(酸化物・f電子系磁性・スピングラス・量子スピン・フラストレーション系・実験技術・磁性一般),領域3(磁性,磁気共鳴))
- 27pTJ-6 希土類・アクチノイド系充填スクッテルダイトのメスバウアー分光(アクチナイド2,領域8,強相関系:高温超伝導,強相関f電子系など)
- 28aTH-10 SrFeO_2の高圧・磁場下メスバウアー分光(28aTH 酸化物磁性,領域3(磁性,磁気共鳴))
- 27aPS-72 ^Npメスバウアー分測定の開発(27aPS 領域8ポスターセッション(f電子系等),領域8(強相関系:高温超伝導,強相関f電子系など))
- 21pPSA-71 高圧下におけるCaCu_3Fe_4O_の磁性と伝導(21pPSA 領域3ポスターセッション,領域3(磁性,磁気共鳴))
- 21pPSA-51 高圧下におけるγ'-Fe_4Nのメスバウアー分光測定(21pPSA 領域3ポスターセッション,領域3(磁性,磁気共鳴))
- 22aQG-2 放射光核共鳴非弾性散乱によるFePtナノ粒子のフォノン測定(22aQG スピントロニクス・微小領域磁性,領域3(磁性,磁気共鳴))
- First Principles Study of Core-hole Effect on Fluorine K-edge X-ray Absorption Spectra of MgF_2 and ZnF_2
- 21pPSA-70 Sr_La_FeO_3の高圧下における磁気・伝導特性(21pPSA 領域3ポスターセッション,領域3(磁性,磁気共鳴))
- Plasma Irradiation Effects on Nd-Ce-Cu-O and La-Sr-Cu-O Thin Films
- Superconductivity in Nd-Ce-Cu-O Thin Films
- 21aGC-4 シリカ層で被覆された金属鉄ナノ粒子のメスバウアー分光(21aGC 微小領域磁性(薄膜,人工格子,ナノ粒子),領域3(磁性,磁気共鳴))
- 25pPSA-18 シリカで被覆された金属鉄ナノ粒子のメスバウアー分光(領域3ポスターセッション(スピントロニクス・遍歴磁性等),領域3,磁性,磁気共鳴)
- 28aPS-97 基板上へのL1_0-FePtナノ粒子の固定とその配向制御(28aPS 領域3ポスターセッション(スピントロニクス・フラストレーション系・実験技術),領域3(磁性,磁気共鳴))
- Chemical Bondings around Intercalated Li Atoms in LiTiX_2 (X=S, Se, and Te)
- 高圧力下におけるSr_3Fe_2O_5のスピン転移
- 25aPS-72 外部磁場を印加したSr_3Fe_2O_5の高圧下メスバウアー分光(25aPS 領域3ポスターセッション,領域3(磁性,磁気共鳴))
- 超高圧下におけるCaFeO_3の圧力誘起スピン転移
- Local Geometry and Energetics of Hydrogen in Orthorhombic SrZrO_3
- Energetics of Hydrogen States in SrZrO_3
- 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
- Nanometer-Sized Crystals Formed by the Mechanical Alloying in the Ag-Fe System
- Electronic Structure of Silica Glass under Strong Electric Field
- Transformation form Icosahedral Quasicrystalline to Amorphous Structure in Al_Cu_Fe_
- Sulfur-Bridged Cubane-Type Molybdenum-Cadmium Clusters with Diethyldithiophosphato or Nitrilotriacetato Ligands
- 24pXP-3 CaFeO_3の超高圧下メスバウアー分光(24pXP Fe・Ir酸化物,領域8(強相関系:高温超伝導,強相関f電子系など))
- 25aWJ-11 EuFe_4As_スクッテルダイト化合物のメスバウアー分光(25aWJ スクッテルダイト・籠状物質,領域8(強相関系:高温超伝導,強相関f電子系など))
- Structural Control of Epitaxially Grown Sputtered PbTiO_3 Thin Films
- Charge-Density Distribution around Fe-Fe Dimer in Copper
- ^Cd(←^In) Time Differential Perturbed Angular Correlation (TDPAC) Spectroscopy in Fe/Ag Films
- Theoretical Solution Energy of Alkaline Earth Ions in Lanthanum Chromites
- Electronic Structure and Chemical Bondings of MgCr_O_4
- 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
- ^Ta (← ^Hf) Time-Differential Perturbed Angular Correlation Spectroscopy of Hf/Fe Multilayers
- 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
- Electronic Structures and Chemical Bonding of TiX_2 (X=S, Se, and Te)
- Electronic Structure and Chemical Bonding of TiS_2 by Cluster Calculation
- Effect of High Pressure on the Hyperfine Field and Curie Temperature of an Amorphous FeB Alloy : Condensed Matter
- ^Ce(←^La) Time-Differential Perturbed Angular Correlation Study of CeRu_2Ge_2
- Synthesis, Stereochemistry, and Spin Transition of Heterometal Dinuclear Fe(II)-Cr(III) Complex Bridged by 3,5-Bis(pyridin-2yl)-pyrazolate
- 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
- 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
- Recoil-Free Fraction of ^197Au Mossbauer Resonance in Au (1 nm)/Ni (1 nm) Multilayer
- 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)
- 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
- Observation of ^U NMR in the Antiferromagnetic State of UO_2
- Temperature Shift of the Fe^ Mossbauer Line in the Quenched Al-0.01% Fe Alloy
- Size Distribution of Co Particles Precipitated in Cu Determined by the Mossbauer Effect
- 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
- 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
- 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
- ^Cd Time Differential Perturbed Angular Correlation Study of Deformed Ni
- Discrete Variational X_α Cluster Calculations. III. Application to Transition Metal Complexes
- 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
- Mossbauer Spectra of FePS_3 and Its Intercalation Compounds
- Simulations on Multilayer Relaxations of Aluminum Surfaces
- Structure and Superconducting Properties of Bi-Sr-Ca-Cu-O Thin Films Annealed at Low Temperatures
- Molecular Cluster Approach to Electronic State and Chemical Bonding in Metallic Materials
- Low-Temperature Transition in Al_Cu_7Ge_Mu_Fe_3 Icosahedral Quasicrystal:^Fe Mossbauer Study