Density Functional Theory Investigation of One-Dimensional Organic-Metallic Multiple-Decked Sandwich Model (第45回真空に関する連合講演会プロシーディングス--2004年10月27日〜29日,大阪)
スポンサーリンク
概要
- 論文の詳細を見る
We investigate electric and magnetic properties of a benzene-iron complex chain [Fe(C6H6)]∞. By performing first principles calculation based on the spin-polarized density functional theory, we find that this system shows semiconducting behavior having magnetic moment. We also show that this system is stable due to the Fe atom.
- 日本真空協会の論文
- 2005-03-20
著者
-
Rahman Mahmudur
Department Of Precision Science & Technology And Applied Physics Osaka University
-
Rahman Mahbubar
Department Of Physics Faculty Of Engineering University Of Tokushima
-
Dino Wilson
Department Of Physics Osaka University
-
Dino W
Osaka Univ. Osaka
-
Rahman Md.
Department Of Precision Science & Technology And Applied Physics Osaka University
-
NAKANISHI Hiroshi
Department of Precision Science and Technology and Applied Physics, Osaka University
-
KASAI Hideaki
Department of Precision Science and Technology and Applied Physics, Osaka University
-
Dino W
Department Of Physics Osaka University
-
Muhida Rifki
Department Of Precision Science & Technology And Applied Physics Osaka University
-
Dino Wilson
Department Of Applied Physics Osaka University
-
Kasai Hideaki
Department Of Applied Physics Osaka University
-
Rahman Md.
Department Of Agriculture Bsmrau
-
Dino W
Department Of Applied Physics Osaka University
-
Kasai Hideaki
Department Of Applied Physics Faculty Of Engineering Osaka University
-
Kasai Haruo
Department Of Electronics Chiba University
-
Nakanishi Hiroshi
Department Of Precision Science & Technology And Applied Physics Osaka University
-
Rahman M
Department Of Precision Science & Technology And Applied Physics Osaka University
-
Nakanishi Hiroshi
Department Of Electronic Engineering Faculty Of Engineering Yamanashi University:(present Address) Sanken Electric Co. Ltd.
-
Nakanishi Hiroshi
Department Of Biological Science And Technology Tokyo University Of Science
-
Dino Wilson
Department of Applied Physics, Osaka University
-
Nakanishi Hiroshi
Department of Applied Physics, Graduate School of Engineering, Osaka University, Suita, Osaka 565-0871, Japan
-
Muhida Rifki
Department of Applied Physics, Osaka University, Suita, Osaka 565-0871
関連論文
- SO_2 Reaction on Cu(100): SO_3 Structure and Formation : Density Functional Theory Investigation(Condensed matter: structure and mechanical and thermal properties)
- Arsenic hazards in Bangladesh (アジア地下水ヒ素汚染問題を考える)
- 21aWD-1 Density functional study on influence of magnetic materials on the dissociative adsorption of O_2
- 21aWD-1 Density functional study on influence of magnetic materials on the dissociative adsorption of O_2
- 18aPS-55 Density functional study of O_2 adsorption on FePt cluster influenced by magnetism
- 30aPS-57 First-principles calculations for the reaction between NaDDC and Cr to produce Cr(DDC)_2ODDC
- 21aPS-75 Benzene-transition metal complex chain on a metal surface : a first principle investigation
- 21aPS-63 Local magnetic moment of multiple-decked sandwich clusters i.e.,V_n(C_6H_6)_(n=1,2) clusters
- 24aPS-167 Change in the magnetic properties of M_n(C_6H_6)_ clusters (n=1, M=Mn,Fe,Co) induced by H_2
- 27aPS-86 Investigation of electric and magnetic properties of [M(C_8H_8)]_∞ (M = transition metal)
- 15aPS-64 Electrical and magnetic properties of a multiple-decked sandwich wires : [M(C_6H_6)]_∞(M=transition metal)
- 15aPS-7 Ortho-para H_2 conversion on a multiple-decked sandwich clusters : M(C_6H_6)_2 (M=Mn, Fe and Co)
- B-17-16 Performance Analysis of A Supervised Learning Based Automatic Modulation Classification Technique
- 21pWE-5 Electric and magnetic properties of benzene-transition metal multiple-decker sandwich chain : a density functional study
- 18aPS-56 Theoretical study on the electric and magnetic properties of benzene-transition metal multiple -decked sandwich chain
- 23aPS-45 Theoretical investigation of magnetic properties of a benzene-iron multiple-decked sandwich chain
- 30aPS-45 Theoretical investigation of a benzene-vanadium multiple-decked sandwich chain on a gold surface
- Phonon Echo Study on Lithium Ionic Diffusion in LiNbO_3 Powder
- Dipole and Deformation Dipole Polarization of Ions in Rock-Salt Structure Crystals(Condensed Matter : Structure, Mechanical and Thermal Properties)
- NMR Study on the Chemical Bonding and the Ionic Conductivity in Noble Metal Halides
- Polarizabilities and Shielding Factors of Ions in Cesium Halide Crystals with the Cesium : Chloride Structure
- 29pPSB-66 Stability of Three-Hydrogen Clusters on Graphene
- 26aRJ-1 Discriminating hydrogen structures on graphite
- Identifying Hydrogen Atoms on Graphite(Condensed matter : electronic structure and electrical, magnetic, and optical properties)
- 22aPS-77 A comparative investigation on the effect of oxygen atom and molecules in the reactive ion etching of NiO thin films
- 25pPSB-32 A Density Functional Theory-based Investigations on Reactive Ion Etching on NiO Thin Films
- 25pPSB-34 Hydrogen atom quantum scattering on platinum
- Amino Acid Adsorption Effects on Nanotube Electronics
- Polybutylene Terephthalate Adhesion on Metals : A Density Functional Theory Investigation
- Realizing a Carbon-Based Hydrogen Storage Material
- 22pYE-12 A Study on the Adhesion of Poly(Butylene Terephthalate) on Aluminum
- 19aXF-9 Fuel cell design : the diffusion of hydrogen on platinum
- Examining Poly(Phenylene Sulfide) Adhesion using Cluster Models (第45回真空に関する連合講演会プロシーディングス--2004年10月27日〜29日,大阪)
- Density Functional Calculations for H2 Adsorption on Fe(OH)3 by Considering Molecular Orientation (第45回真空に関する連合講演会プロシーディングス--2004年10月27日〜29日,大阪)
- 27aXD-11 Amino acid adsorption on single-walled carbon nanotubes
- 26pXD-10 A nanoscale inspection on the adhesion of some thermoplastics on aluminum
- Electric and Magnetic Properties of Co-filled Carbon Nanotube(Condensed Matter : Electronic Structure, Electrical, Magnetic and Optical Properties)
- First Principles Study of Electric and Magnetic Properties of Benzene-Iron Multiple-Decked Sandwich Chain(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
- First-Principles Calculations for Chemical Reaction between Sodium Diethyldithiocarbamate and Transition-Metal (Cr) atom to Produce Cr(DDC)_3 and Cr(DDC)_2ODDC
- Density Functional Study for Chemical Reaction between Cr and Fe with Sodium Diethyldithiocarbamate (NaDDC)
- Density Functional Theory Investigation of One-Dimensional Organic-Metallic Multiple-Decked Sandwich Model (第45回真空に関する連合講演会プロシーディングス--2004年10月27日〜29日,大阪)
- Spin Polarization of a Multiple-decked Sandwich Clusters : M(C_6H_6)_2(M = Mn, Fe, Co)(Condensed Matter : Electronic Structure, Electrical, Magnetic and Optical Properties)
- Magnetic-Adsorbate-Induced Spin Polarization in Carbon Materials : Two Fe Atoms on Planar C_ and C_H_8 (Atomic and Molecular Physics)
- 22aYE-4 First principles study of H_2 interaction with Fe(OH)_3 : Effect of molecular orientation on the ortho-para H_2 conversion
- 22aYC-1 Effect of Hydrogen termination on the spin polarization of a carbon material doped with iron atom
- 28pPSB-51 Spin polarization of a carbon material induced by iron atoms
- New Method to Enhance the ortho-para H_2 Conversion by using Dynamical Quantum Filtering Effect and Steric Effect
- Molecular Orientation Dependence of o-p Conversion of H_2 Scattered from a 3d Impurity Sitting on a Metal Oxide Surface
- 29pPSA-34 Molecular Orientation Dependence of o-p H_2 Conversion in Scattering Process
- H/Pd(111) Absorption and Desorption Dynamics : Hydrogen-Induced Lattice Relaxation Effects
- Probing Local Surface Reactivity With Hydrogen Molecules : Realizing an Atom/Molecule Scanning Probe
- Magnetic Properties of Fe Thin Films on Cu(111)(Condensed Matter : Electronic Structure, Electrical, Magnetic and Optical Properties)
- Effects of Oxygen Vacancies on the Electronic States in Copper Oxides
- Dynamics of STM-Induced Acetylene Dissociation on Cu (100)
- Quantum Dynamics of Abstraction in H(g)+H(a)/Cu(111) : Direct (Eley-Rideal) and Indirect (Hot-Atom) Processes
- Lifetime of Shockley States on Metal Surfaces : Condensed Matter: Electronic Properties, etc.
- Effects of Correlation between Molecular Diffraction and Rotational Excitation on the Scattering Dynamics of H_2 from Cu(001) : Condensed Matter: Structure, etc.
- Spatial and Spectroscopic Profiles of the Kondo Resonance for a Single Magnetic Atom on a Metal Surface under an External Magnetic Field
- Dissociative Adsorption Dynamics of H_2(D_2) on Metal Alloy Surfaces : A First Step Towards Surface Reaction Design/Control : Condensed Matter: Structure, etc.
- Dynamics of STM-Induced CO Desorption from Cu(111)
- Rotational Alignment in the Associative Desorption Dynamics of Hydrogen Molecules from Metal Surfaces
- Rotational Effects in the Dissociative Adsorption Dynamics of Hydrogen on a Pd Surface
- 1P101 1G1310 FUNCTIONAL CHARACTERIZATION OF THE RECOMBINANT HUMAN TUMOR SUPPRESSOR 101F6 PROTEIN, A CYTOCHROME B561 HOMOLOGUE(Heme proteins,Oral Presentations,The 48th Annual Meeting of the Biophysical Society of Japan)
- バングラデシュ・ダムライ郡の分娩・授乳状況 : 妊婦, 乳幼児をもつ母親, 伝統的産婆, 地域家族福祉補助員, 看護師への集団面接結果
- B-17-19 Performance Evaluation of Supervised Learning based Automatic Modulation Classification
- Dynamical Cluster Approximation in Disordered Systems with Magnetic Impurities(Condensed Matter : Electronic Structure, Electrical, Magnetic and Optical Properties)
- 25pPSA-6 Behavior and Properties of a Quantum Dot-AB Ring System II
- 30aPS-54 Behavior and Properties of a Quantum Dot - AB Ring System
- Diameter Dependent Magnetic and Electronic Properties of Single-Walled Carbon Nanotubes with Fe Nanowires
- 20aPS-49 Dynamic Calculations on Hydrogen-Pt(111) Surface Reactions
- 30aPS-47 Molecular Rotational Effects on the Dissociation and Sticking of H_2 on a Pt(111) Surface
- IS O-17 A comparative study between the outcome of Tunica Vaginalis Pedicle Wrap and Dartos Flap Pedicle Wrap in urethroplasty(International Session 4 Alimentary Tract and Urology,Science and Art for Sick Children)
- Adsorption of Fe and Co Nanowires to (3, 3) Single-Walled Carbon Nanotubes
- 25pPSB-76 H_2 Dissociative Adsorption on CO-Precovered Pt(111) Surface
- 30aPS-68 A Density Functional Calculations on Single-Walled Carbon Nanotubes Filled with Fe Wire on Ni(111)
- Ground State Magnetic Properties of Fe Nanoislands on Cu(111)(Condensed Matter : Electronic Structure, Electrical, Magnetic and Optical Properties)
- Hydrogen-Induced Lattice Relaxation Effects on the Absorption and Desorption of H on a Li(100) Surface
- 15aPS-78 Interaction of glycine with single-walled carbon nanotubes
- 18pTB-13 Computational NanoMaterials Design : From Basics to Actual Applications
- Dose-dependent effect of MK-801 on the levels of neuropeptides processing enzymes in rat brain regions
- Influences of Histamine H_1 Receptor Antagonists on Maximal Electroshock Seizure in Infant Rats(Pharmacology)
- IP-MAC : A Distributed MAC for Spatial Reuse in Wireless Networks
- A High Throughput On-Demand Routing Protocol for Multirate Ad Hoc Wireless Networks
- Structural Characterization and Cytolytic Activity of a Potent Antimicrobial Motif in Longicin, a Defensin-Like Peptide in the Tick Haemaphysalis longicornis
- Growth Analysis, Yield and Canopy Structure in Maize-mungbean Intercropping
- Theoretical Investigation of Electric and Magnetic Properties of Benzene-Vanadium Sandwich Complex Chain
- Improvement of Mobility on Ultra-thin Body SOI MOSFETs by Use of High Pressure Hydrogen Annealing
- 22pWA-6 水素エネルギー基盤技術での計算マテリアルデザインの展開(領域11,領域4合同シンポジウム:コンピュテーショナル・マテリアルズ・デザイン(CDM^[○!R])先端研究事例,領域11,統計力学,物性基礎論,応用数学,力学,流体物理)
- Pretreatment with Antioxidants Decreases the Effects of Salt Stress on Chloroplast Ultrastructure in Rice Leaf Segments (Oryza sativa L.)(Crop Morphology)(Crop Physiology and Ecology)
- Stable Hydrogen Configurations between Graphite Layers
- First Principles Studies on the Interaction of a Hydrogen Atom with a Single-Walled Carbon Nanotube
- Effective Pathway for Hydrogen Atom Adsorption on Graphene (Condensed Matter: Structure, Mechanical and Thermal Properties)
- Rotational and Vibrational Coupling Effects on the Dissociative Adsorption and Associative Desorption Dynamics of D_2/Cu(111)
- Site-Dependent Vibrationally Assisted Sticking Effect on H2–Si(001)$2\times 2$ Surface Interactions
- 13aXF-7 Dissociative Adsorption of H_2 On A Geometrically Corrugated Surface of Si(001)
- 27aXD-10 Hydrogen-Hydrogenase and Oxygen-Hemoglobin/Myoglobin Reaction Dynamics, Functionality and Their Control I : Structure and Energetics
- Spin Polarization Effects on O_2 Dissociation from Heme-O_2 Adduct
- Ab Initio Study of H_2 Desorption from Magnesium Hydride MgH_2 Cluster(Condensed Matter : Electronic Structure, Electrical, Magnetic and Optical Properties)
- Ab Initio Study of Cyclohexane Dehydrogenation with a Transition Metal (Pt, Pd, Ni and Cu) Atom (Condensed Matter : Electronic Structure, Electrical, Magnetic and Optical Properties)
- 26pTG-3 The Influence of Mn on the Adsorption of H_2 and O on Ni(111) Surface