Theoretical Prediction of Magnetic Properties of Ba(Ti_<1-χ>M_χ)O_3(M=Sc,V,Cr,Mn,Fe,Co,Ni,Cu) : Semiconductors
スポンサーリンク
概要
- 論文の詳細を見る
We have performed ab-initio total energy calculations for the system of BaTiO_3 doped with 3d transition metal (from Sc to Cu), within the framework of the local spin-density approximation (LSDA). Total energies corresponding to the nonmagnetic, ferromagnetic, and anti-ferromagnetic configurations of the magnetic ordering were calculated to examine the magnetic stability. The results predict that the Cr-, Mn-, and Fe-doped BaTiO_3 are candidates for ferromagnetic fabrication. Above all, Mn-doped BaTiO_3 is the most promising, although carrier doping is necessary.
- 社団法人応用物理学会の論文
- 2001-12-15
著者
-
Katayama-yoshida Hiroshi
Department Of Condensed Matter Physics The Institute Of Scientific And Industrial Reserach (isir) Os
-
Katayama-yoshida Hiroshi
Department Of Computational Science Asahi Chemical Industry Co. Ltd.:presto Japan Science And Techno
-
NAKAYAMA Hiroyuki
Japan Synchrotron Radiation Research Institute (JASRI)
-
Katayama-Yoshida Hiroshi
Department of Computational Nanomaterials Design, Nanoscience and Nanotechnology Center, The Institute of Scientific and Industrial Research (ISIR), Osaka University, 8-1 Mihogaoka, Ibaraki, Osaka 567-0047, Japan
関連論文
- Anomalous Nuclear Relaxation and Knight Shift Behaviors of ^Tl in High-T_c Tl_2Ba_2Ca_1Cu_2O_
- Theoretical Prediction of Curie Temperature in (Zn, Cr)S, (Zn, Cr)Se and (Zn, Cr)Te by First Principles Calculations
- Charge and Spin States of Transition-Metal Atoms in a Hemoprotein Based on the Extended Haldane-Anderson Model
- Exchange Interaction and T_c in Alkaline-Earth-Metal-Oxide-Based DMS without Magnetic Impurities : First Principle Pseudo-SIC and Monte Carlo Calculation(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
- The Electronic Structure and Atomic Configuration of Hydrogen in Silicon
- Materials Design of 4d-Transition-Metal-Doped Transparent and Half-Metallic Ferromagnets with K_2S-Based Diluted Magnetic Semiconductors
- Lattice Dynamics of Black Phosphorus.I.Valence Force Field Model
- Isotope Effect in Superconducting YBa_2Cu_3O_ System
- Material Design for the Fabrication of p-type SrTiO_3 : Electrical Properties of Condensed Matter
- NMR and NQR Studies of ^O and ^Cu in CuO_2 Plane of High-T_c YBa_2 Cu_3O_ with T_c=61K
- Growth of YBa_2Cu_3O_ Single Crystals
- Electron-Energy-Loss Spectroscopy of Oxide Superconductor Bi_2Sr_2CaCu_2O_8
- Bound States in Copper-Based Cu-Ge and Cu-Se Alloys Studied by X-Ray Photoelectron Spectroscopy
- Role of Cl or I Codoping in Li-Doping Enhancement in ZnSe
- Interstitial Donor Codoping Method in (Ga,Mn)As to Increase Solubility of Mn and Curie Temperature
- Reproducibility in Single-Crystal Growth of 2-1-4 Type Cuprates and Nickelates by Floating Zone Method : I-C Single Crystal Growth : I. Oxide Superconductors, Experiments I : Material Syntheses and Crystal Structures
- Systematic Variation of Hyperfine Field and Relaxation Time of Impurity Nuclei in Ferromagnetic Nickel. II. Case of Light Nuclei
- Systematic Variation of Hyperfine Field and Relaxation Time of Impurity Nuclei in Ferromagnetic Nickel. I. : Case of Substitutional Heavy Nuclei
- Calculation of the Electronic Structure of Positive Muon and Boron at the Tetrahedral Interstitial Site in Silicon
- Physics and Control of Conduction Type in CuInS_2 with Defect Chalcopyrite Structure
- De Haas-van Alphen Measurement of YBa_2Cu_3O_7 : II-D Transport Properties : II Oxide Superconductors; Experiments II : Electronic States
- Materials Design for the Fabrication of Low-Resistivity p-Type GaN Usimg a Codoping Method
- Material Design of GaN-Based Ferromagnetic Diluted Magnetic Semiconductors
- Prediction of Intrinsic Defects in Hydrogenated Amorphous Silicon by ab initio Molecular Dynamics
- Theoretical Prediction of Magnetic Properties of Ba(Ti_M_χ)O_3(M=Sc,V,Cr,Mn,Fe,Co,Ni,Cu) : Semiconductors
- Electronic Structures and Effects of S Substitutions in CuIn(S_X_)_2 (X = O, N, P, C, Si or B)
- Comparative Study on Electronic Structure of Doped Fullerenes and High-Tc Oxide Superconductors
- Solution Using a Codoping Method to Unipolarity for the Fabrication of p-Type ZnO
- Stabilization of Ferromagnetic States by Electron Doping in Fe-, Co- or Ni-Doped ZnO : Magnetism
- Materials Design for Cu Gettering by Electronic Dopants in Silicon
- Material Design for Transparent Ferromagnets with ZnO-Based Magnetic Semiconductors
- Molecular Dynamics Study of Fast Diffusion of Cu in Silicon
- $T_{\text{c}}$-Enhanced Codoping Method for GaAs-Based Dilute Magnetic Semiconductors
- Materials Design of Transparent and Half-Metallic Ferromagnets in V- or Cr-Doped ZnS, ZnSe and ZnTe without P- or N-type Doping Treatment