• Search Research Projects
  • Search Researchers
  • How to Use
  1. Back to previous page

Theory of Electronic Structure and Magnetic Phase Diagram of Intermetallic Compounds

Research Project

Project/Area Number 02640258
Research Category

Grant-in-Aid for General Scientific Research (C)

Allocation TypeSingle-year Grants
Research Field 固体物性
Research InstitutionOsaka University

Principal Investigator

MOTIZUKI Kazuko  Osaka Univ., Fac. Eng. Sci., Professor, 基礎工学部, 教授 (90029413)

Co-Investigator(Kenkyū-buntansha) SHIRAI Masafumi  Osaka Univ., Fac. Eng. Sci., Research Assistant, 基礎工学部, 助手 (70221306)
SUZUKI Naoshi  Osaka Univ., Fac. Eng. Sci., Assoc. Professor, 基礎工学部, 助教授 (40029559)
Project Period (FY) 1990 – 1991
Project Status Completed (Fiscal Year 1991)
Budget Amount *help
¥1,300,000 (Direct Cost: ¥1,300,000)
Fiscal Year 1991: ¥500,000 (Direct Cost: ¥500,000)
Fiscal Year 1990: ¥800,000 (Direct Cost: ¥800,000)
KeywordsElectronic Band Structure / APW, LAPW Methods / Ferromagnetic State / Ferrimagnetic State / Antiferromagnetic State / Mn_4X (X=N, C) / Cu_2Sb-type Compounds / Cu_3Au-type Compounds / APW法 / LAPW法 / フェリ磁性バンド / 反強磁性バンド / 強磁性バンド / Mn窒化物 / Mn炭化物
Research Abstract

To clarify the nature of the d-electrons, either localized or itinerant, various transition-metal compounds, and to explain the observed magnetic properties, it is useful to know the electronic band structure for each compound.
Previously we have made systematic band calculations for NiAs-type compounds, 1T-type and 2H-type layered compounds and their intercalation compounds, and Mn_3MC-type compounds with M=Zn, Ga, Sn. The nature of bonding in these compounds were elucidated by calculating the bond orders. Furthermore, anomalous magnetic properties observed in NiAs-type compounds, such as MnAs, CoAs, and FeAs, have been explained on the basis of spin fluctuation theory developed by Moriya, by taking account of characteristic behavior of the density of states obtained for each compound.
During recent two years, we have calculated electronic bands of cubicperovskite-type compounds, Mn_4N and Mn_4C, Cu_2Sb-type compounds, , Mn_2As, Mn_2Sb, Cr_2As, Fe_2As, Cu_2Sb, MnAlGe, MnGaGe, MnZnGe, and Cu_3Au type compounds FePt_3, FePd_3, for non-magnetic and magnetic(ferro or antiferro)states. Self-consistent APW and LAPW methods are used.
The magnetic moments calculated for all compounds are in good agreement with observed values. Furthermore, the overall feature of the calculated density of states of Mn_2Sb, MnAlGe and Cr_2As shows good correspondence with the spectrum observed by photoemission and inverse photoemission measurement.

Report

(3 results)
  • 1991 Annual Research Report   Final Research Report Summary
  • 1990 Annual Research Report
  • Research Products

    (41 results)

All Other

All Publications (41 results)

  • [Publications] M.Koyano: "Magnetic Scattering of Conduction Carriers in 3d Transition-Metal Intercalates of M_xTiS_2 (M=Mn,Fe,Co,Ni)" J.Low Temp.Phys.78. 141-154 (1990)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] S.Tomishima: "Electronic Band Structures for Non-Magnetic and Ferromagnetic States of Transition-Metal Intercalation Compound Mn_<1/4>TaS_2" J.Phys.Soc.Jpn.59. 1913-1916 (1990)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] M.Shirai: "Successive Magnetic Phase Transitions in Mn_3Pt" J.Magn.& Magn.Mater.90 & 91. 157-158 (1990)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] M.Morifuji: "Theoretical Study of Double Helical Magnetic Ordering of FeAs" J.Magn.& Magn.Mater.90 & 91. 740-742 (1990)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] T.Teshima: "Electronic Band Structures of 1T-Type TiS_2 Intercalated with Light 3d Transition-Metals" J.Phys.Soc.Jpn.60. 1005-1010 (1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] Y.Tagawa: "Electronic Band Structures and Magnetism of Intermetallic Manganese Compounds Mn_4X (X≡N,C)" J.Phys.:Condens.Matter. 3. 1753-1761 (1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] N.Suzuki: "Electronic Band Structures of Intercalation Compounds M_<1/3>TiS_2 (M=Cr,V,Ti)" Proceedings of the Fourth Asia Pacific Physics Conference,World Scientific Publishing (Singapore). 1. 448-451 (1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] K.Motizuki: "Electronic Band Structures and Magnetism of Intermetallic Manganese Compounds Mn_4X (X=N,C)" Proceedings of the Fourth Asia Pacific Physics Conference,World Scientific Publishing (Singapore). 1. 452-455 (1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] T.Chonan: "Electronic Band Structures of Cu_2Sb-Type Intermetallic Compounds" J.Phys.Soc.Jpn.60. 1638-1646 (1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] M.Suzuki: "Electronic Band Structure in the Ferrimagnetic State of Mn_2Sb" J.Phys.:Cond.Matter. 4. L33-L36 (1992)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] N.Suzuki: "Electronic Band Structures and Magnetic Properties of Mn-Intercalated Compounds of 2H-Type Transition Metal Dichalcogenides" New Horizons in Low-Dimensional Electron Systems,ed.H.Aoki et al.,Springer (Berlin). 55-69 (1992)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] K.Motizuki: "Itinerant Magnetism of Mn-Intercalated Compounds of 2H-type TaS_2" J.Magn.& Magn.Mater.(1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] K.Motizuki: "Electronic Band Structures and Magnetism of Intermetallic Cu2Sb-type Manganese Compounds MnAlGe and MnGaGe" J.Magn.& Magn.Mater.(1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] M. Koyano: "Magnetic Scattering of Conduction Carriers in 3d Transition-Metal Intercalates of M_xTiS_2 (M=Mn, Fe, CO, Ni)" J. Low Temp. Phys.78. 141-154 (1990)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] S. Tomishima: "Electronic Band Structures for Non-Magnetic and Ferromagnetic States of Transition-Metal Intercalation Compound Mn_<1/4>TaS_2" J. Phys. Soc. Jpn.59. 1913-1916 (1990)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] M. Shirai: "Successive Magnetic Phase Transitions in Mn_3Pt" J. Magn. & Magn. Mater.90 & 91. 157-158 (1990)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] M. Morifuji: "Theoretical Study of Double Helical Magnetic Ordering of FeAs" J. Magn. & Magn. Mater.90 & 91. 740-742 (1990)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] T. Teshima: "Electronic Band Structures of 1T-Type TiS_2 Intercalated with Light 3d Transition-Metals" J. Phys. Soc. Jpn.60. 1005-1010 (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] Y. Tagawa: "Electronic Band Structures and Magnetism of Intermetallic Manganese Compounds Mn_4X (X*N, C)" J. Phys. : Condens. Matter. 3. 1753-1761 (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] N. Suzuki: "Electronic Band Structures of Intercalation Compounds M_<1/3>TiS_2 (M=Cr, V, Ti)" Proceedings of the Fourth Asia Pacific Physics Conference. 1. 448-451 (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] K. Motizuki: "Electronic Band Structures and Magnetism of Intermetallic Manganese Compounds Mn_4X (X=N, C)" Proceedings of the Fourth Asia Pacific Physics Conference. 1. 452-455 (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] T. Chonan: "Electronic Band Structures of Cu_2Sb-Type Intermetallic Compounds" J. Phys. Soc. Jpn.60. 1638-1646 (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] M. Suzuki: "Electronic Band Structure in the Ferrimagnetic State of Mn_2Sb" J. Phys. : Cond. Matter. 4. L33-L36 (1992)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] N. Suzuki: "Electronic Band Structures and Magnetic Properties of Mn-Intercalated Compounds of 2H-Type Transition Metal Dichalcogenides" New Horizons in Low-Dimensional Electron Systems. ed. H. Aoki et al.55-69 (1992)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] K. Motizuki: "Itinerant Magnetism of Mn-Intercalated Compounds of 2H-type TaS_2" J. Magn. & Magn. Mater. (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] K. Motizuki: "Electronic Band Structures and Magnetism of Intermetallic Cu_2Sb-type Manganese Compounds MnAlGe and MnGaGe" K. Magn. & Magn. Mater.(1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] T.Teshima: "Electronic Band Structures of 1T‐Type TiS_2 Intercalated with Light 3d Transition‐Metals" J.Phys.Soc.Jpn.60. 1005-1010 (1991)

    • Related Report
      1991 Annual Research Report
  • [Publications] Y.Tagawa: "Electronic Band Structures and Magnetism of Intermetallic Manganese Compounds Mn_4X(X≡N,C)" J.Phys.:Condens.Matter. 3. 1753-1761 (1991)

    • Related Report
      1991 Annual Research Report
  • [Publications] N.Suzuki: "Electronic Band Structures of Intercalation Compounds M_<1/3>TiS_2(M=Cr,V,Ti)" Proceedings of the Fourth Asia Pacific Physics conference,World Scientific publishing(Singapore). 1. 448-451 (1991)

    • Related Report
      1991 Annual Research Report
  • [Publications] K.Motizuki: "Electronic Band Structures and Magnetism of Intermetallic Manganese Compounds Mn_4X(X=N,C)" Proceedings of the Fourth Asia Pacific Physics conference,World Scientific publishing(Singapore). 1. 452-455 (1991)

    • Related Report
      1991 Annual Research Report
  • [Publications] K.Motizuki: "Theoretical Study of Superconductivity in Ba_xK_<1-x>BiO_3" Proceedings of the Fourth Asia Pacific Physics conference,World Scientific publishing(Singapore). 1. 629-632 (1991)

    • Related Report
      1991 Annual Research Report
  • [Publications] T.Chonan: "Electronic Band Structures of Cu_2Sb‐Type Intermetallic Compounds" J.Phys.Soc.Jpn.60. 1638-1646 (1991)

    • Related Report
      1991 Annual Research Report
  • [Publications] K.Motizuki: "Electron‐Phonon Interaction and Superconductivity in Ba_xK_<1-x>BiO_3" Proc.First CINVESTAV Superconductivity Symp.World Scientific(Singapore). 176-187 (1991)

    • Related Report
      1991 Annual Research Report
  • [Publications] M.Suzuki: "Electronic Band Structure in the Ferrimagnetic State of Mn_2Sb" J.Phys.:Cond.Matter. 4. L33-L36 (1992)

    • Related Report
      1991 Annual Research Report
  • [Publications] N.Suzuki: "Electronic Band Structures and Magnetic Properties of Mn‐Intercalated Compounds of 2H‐Type Transition Metal Dichalcogenides" New Horizons in Low‐Dimensional Electron Systems. 55-69 (1992)

    • Related Report
      1991 Annual Research Report
  • [Publications] Shigeki TOMISHIMA: "Electronic Band Structures for NonーMagnetic and Ferromagnetic States of TransitionーMetal Intercalation Compound Mn_<1/4>TaS_2." J.Phys.Soc.Jpn.59. 1913-1916 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Masafumi SHIRAI: "Successive Magnetic Phase Transitions in Mn_3Pt." J.Magn.& Magn.Mater.90&91. 157-158 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Masato MORIFUJI: "Theoretical Study of Double Helical Magnetic Ordering of FeAs." J.Magn.& Magn.Mater.90&91. 740-742 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Tatsuya TESHIMA: "Electronic Band Structures of 1TーType TiS_2 Intercalated with Light 3d TransitionーMetals." J.Phys.Soc.Jpn.60. (1991)

    • Related Report
      1990 Annual Research Report
  • [Publications] Yukio TAGAWA: "Electronic Band Structures and Magnetism of Intermetallic Manganese Compounds Mn_4X (X〓N,C)." J.Phys.:Condens.Matter. 3. (1991)

    • Related Report
      1990 Annual Research Report
  • [Publications] To^^<^>ru CHO^^<^>NAN: "Electronic Band Structures of Cu_2SbーType Intermetallic Compounds." J.Phys.Soc.Jpn.60. (1991)

    • Related Report
      1990 Annual Research Report

URL: 

Published: 1990-04-01   Modified: 2016-04-21  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi