A Possible Ground State and Its Electronic Structure of a Mother Material (LaOFeAs) of New Superconductors(Condensed matter : electronics structure and electrical, magnetic, and optical properties)

スポンサーリンク

概要

• 論文の詳細を見る

• The electronic and magnetic properties of the mother material LaOFeAs of new superconductors have been carefully studied using first-principles electronic structure calculations based on the generalized gradient approximation in the density functional theory. The present calculation predicts that the ground state of LaOFeAs is antiferromagnetic with a stripe type magnetic moment alignment leading to orthorhombic symmetry of the crystal. In this particular magnetic state, the density of states at the Fermi level is very small. On the other hand, LaOFeP has turned out to be paramagnetic and a good metal. Implications of the results regarding the experimental observations will also be presented.

• 社団法人日本物理学会の論文
• 2008-05-15

著者

• Hosono Hideo

  Frontier Research Center Tokyo Institute Of Technology:erato-sort Jst In Frontier Research Center To

• Hosono Hideo

  Frontier Collaborative Research Center Tokyo Institute Of Technology

• ISHIBASHI Shoji

  Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and

• TERAKURA Kiyoyuki

  Research Center for Integrated Science (RCIS), Japan Advanced Institute of Science and Technology (J

• Hosono Hideo

  Frontier Research Center Tokyo Institute Of Technology

• Ishibashi Shoji

  Research Institute For Computational Sciences (rics) National Institute Of Advanced Industrial Scien

• Terakura Kiyoyuki

  Research Center For Integrated Science (rcis) Japan Advanced Institute Of Science And Technology (ja

• Terakura Kiyoyuki

  Research Institute For Computational Sciences (rics) National Institute Of Advanced Industrial Scien

関連論文

• Mossbauer Spectroscopy of La_Ca_FePO and LaFeAsO_F_ under External Magnetic Field and Nuclear Resonant Inelastic Scattering of La_Ca_FePO(Condensed matter: electronic structure and electrical, magnetic, and optical prop
• Spin Ordering in LaFeAsO and Its Suppression in Superconductor LaFeAsO_F_ Probed by Mossbauer Spectroscopy(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
• Pressure Study of Superconducting Oxypnictide LaFePO(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
• ^As-NMR Studies on LaFeAsO_F_x (x=0.14) under a Pressure of 3GPa(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
• Superconductivity under High Pressure in LaFeAsO(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
• Possible Unconventional Superconductivity in Iron-Based Layered Compound LaFePO : Study of Heat Capacity(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
• Electronic Structure and Electron Correlation in LaFeAsO_F_x and LaFePO_F_x(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
• Evolution from Itinerant Antiferromagnet to Unconventional Superconductor with Fluorine Doping in LaFeAs(O_F_x) Revealed by ^As and ^La Nuclear Magnetic Resonance(Condensed matter: electronic structure and electrical, magnetic, and optical p
• Analysis of Screening Mechanisms for Polar Discontinuity for LaAlO_3/SrTiO_3 Thin Films Based on Ab initio Calculations(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
• Isotope Effect on the Infrared Photoluminescence Decay of Interstitial Oxygen Molecules in Amorphous SiO_2
• Pressure-Induced Superconductivity in Iron Pnictide Compound SrFe_2As_2
• Cobalt-Substitution-Induced Superconductivity in a New Compound with ZrCuSiAs-Type Structure, SrFeAsF(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
• Superconducting Transition in Electron-Doped 12CaO・7Al_2O_3
• Superconducting Gap and Pseudogap in Iron-Based Layered Superconductor La(O_F_x)FeAs(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
• Elucidation of Phosphorus Co-doping Effect on Photoluminescence in Ce^-activated SiO_2 Glasses : Determination of Solvation Shell Structure by Pulsed EPR
• Excess Oxygen in 12CaO・7Al_2O_3 Studied by Thermogravimetric Analysis
• Award accounts: The Chemical Society of Japan award for young chemists for 2005: Functionalities of a nanoporous crystal 12CaO・7Al2O3 originating from the incorporation of active anions
• Reproducibility of O^- Negative Ion Emission from C12A7 Crystal Surface : Surfaces, Interfaces, and Films
• Photoluminescence from Epitaxial Films of Perovskite-type Alkaline-earth Stannates
• High-Temperature Thermoelectric Properties of La-Doped Ba_Sr_xSnO_3 Ceramics
• Preparation of Semiconductive La-Doped BaSnO_3 by a Polymerized Complex Method and the Thermoelectric Properties
• Oxygen diffusion in zinc-oxide thin films prepared by pulsed-laser deposition
• Single-Component Molecular Metals as Multiband π-d Systems(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
• Electronic Structures of Single Component Molecular Metals Based on Ab initio Calculation(Condensed matter: electronic structure and electric, magnetic, and optical properties)
• Ab Initio Electronic Structure Calculation for Single-Component Molecular Conductor Au(tmdt)_2 (tmdt=Trimethylenetetrathiafulvalenedithiolate)(Condensed Matter : Electronic Structure, Electrical, Magnetic and Optical Properties)
• Superconductivity in Epitaxial Thin Films of Co-Doped SrFe_2As_2 with Bilayered FeAs Structures and their Magnetic Anisotropy
• Thermoelectric Properties of the Layered Cobaltite Ca_3Co_4O_9 Epitaxial Films Fabricated by Topotactic Ion-Exchange Method
• Anion Incorporation-induced Cage Deformation in 12CaO・7Al_2O_3 Crystal
• Function Cultivation of Transparent Oxides Utilizing Built-In Nanostructure
• Bipolar Room Temperature Ferromagnetic Semiconductor LaMnOP
• Formation of Microstructure in SiO_2 Thin Film by a Femtosecond Laser Pulse
• Formation of Intrinsic Point Defects in Fluorine-doped Synthetic SiO_2 Glass by ^Co γ-ray Irradiation
• 23pWH-15 Characterization of Ba(Fe_Co_x)_2As_2 thin films by magnetization, transport and Hall measurements
• Superconducting Bi_2Sr_2Ca_1Cu_2O_ Glass-Ceramics with Different Melting Histories
• Growth of Thick Zinc Magnesium Oxide by Liquid Phase Epitaxy
• Preparation and Characterization of ZnO and (Zn,Mg)O films doped with Al
• Optimization of Annealing Time and Cu Concentration for Study of Luminescence Properties of Cu-Implanted ZnO Thin Films
• A Possible Ground State and Its Electronic Structure of a Mother Material (LaOFeAs) of New Superconductors(Condensed matter : electronics structure and electrical, magnetic, and optical properties)
• Possible Polaron Effect in Complex Terahertz Conductivity of Electron-Doped Nanoporous Crystal 12CaO・7Al_2O_3(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
• Yellow Emission from Zinc Oxide giving an Electron Spin Resonance Signal at g=1.96
• Synthesis of ZnO Bicrystals Doped with Co or Mn and Their Electrical Properties
• Oxygen Defects Related to Electrical Properties of La-doped BaTiO_3(Electrical Properties of Condensed Matter)
• Surface Structure of ZnO Single Crystals Analysed by Ion Scattering Spectroscopy
• High Critical Current Density 4MA/cm^2 in Co-Doped BaFe_2As_2 Epitaxial Films Grown on (La,Sr)(Al,Ta)O_3 Substrates without Buffer Layers
• Tailoring Magnetic Properties in Transition Metal-Benzene Sandwich Clusters : Ways to Design Molecular Magnets(Atomic and molecular physics)
• Theoretical Analysis of Magnetic Coupling in Sandwich Clusters V_n(C_6H_6)_(Atomic and molecular physics)
• First-Principles Study of the Stability and Interfacial Bonding of Tilt and Twist Grain Boundaries in Al and Cu
• Synthesis and Characterization of ZnO/Glass/ZnO Structures Showing Highly Nonlinear Current-Voltage Characteristics
• Acceleration of the First-Principles Calculations with Population Analysis
• Thermoelectric Properties of P -Type BaSnO3 Ceramics Doped with Cobalt
• Thermoelectric Properties of P-Type BaSnO_3 Ceramics Doped with Cobalt
• First-Principles Electronic-Structure Study for TTF-TCNQ under Hydrostatic Pressure
• Visualization of Grain Boundary as Blocking Layer for Oxygen Tracer Diffusion and a Proposed Defect Model in Non Doped BaTiO_3 Ceramics
• First-Principles Calculations of Schottky Barrier Heights of Monolayer Metal/6H-SiC{0001} Interfaces
• Ab Initio Electronic-Structure Calculations for α-(BEDT-TTF)_2I_3
• Electronic Structure of Novel Superconductor Ca4Al2O6Fe2As2
• Thin Film Growth and Device Fabrication of Iron-Based Superconductors (Recent Developments in Superconductivity)
• Direct Evidence for Cage Conduction Band in Superconducting Cement 12CaO$\cdot$7Al2O3 by Low-Energy High-Resolution Photoemission Spectroscopy
• Erratum: “Analysis of Screening Mechanisms for Polar Discontinuity for LaAlO3/SrTiO3 Thin Films Based on Ab initio Calculations”
• First-Principles Electronic-Structure Study for Organic Ferroelectric Tetrathiafulvalene–$ p$-Bromanil
• Defect States Induced by Oxygen Vacancies in Cubic SrTiO3: First-Principles Calculations
• First-Principles Electronic Structure of Solid Picene
• Vacancy-Boron Complexes in Plasma Immersion Ion-Implanted Si Probed by a Monoenergetic Positron Beam
• Bipolar Room Temperature Ferromagnetic Semiconductor LaMnOP
• Frontiers of Research on Iron-Based Superconductors toward Their Application
• Ultralow-Dissipative Conductivity by Dirac Fermions in BaFe
• Robust Spin Fluctuations and s\pm Pairing in the Heavily Electron Doped Iron-Based Superconductors
• Erratum: "Ab Initio Electronic Structure Calculation for Single-Component Molecular Conductor Au(tmdt)2 (tmdt = Trimethylenetetrathiafulvalenedithiolate)"
• Ultralow-Dissipative Conductivity by Dirac Fermions in BaFe₂As₂
• Erratum: "Bipolar Room Temperature Ferromagnetic Semiconductor LaMnOP"
• Ab Initio Electronic Structure Calculation for Single-Component Molecular Conductor Au(tmdt)_2 (tmdt=Trimethylenetetrathiafulvalenedithiolate)(Condensed Matter : Electronic Structure, Electrical, Magnetic and Optical Properties)

もっと見る 閉じる

スポンサーリンク