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First Principle Band Calculations for Ce and Yb Compounds

Research Project

Project/Area Number 21540372
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Condensed matter physics II
Research InstitutionNational Institute for Materials Science

Principal Investigator

YANAGIMACHI Osamu  独立行政法人物質・材料研究機構, 量子ビームユニット, NIMS特別研究員 (60005957)

Co-Investigator(Renkei-kenkyūsha) KITAZAWA Hideaki  独立行政法人物質・材料研究機構, 量子ビームユニット, ユニット長 (00195257)
SUZUKI Hiroyuki  独立行政法人物質・材料研究機構, 量子ビームユニット, 主幹研究員 (60354370)
Project Period (FY) 2009 – 2011
Project Status Completed (Fiscal Year 2011)
Budget Amount *help
¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
Fiscal Year 2011: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2010: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2009: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Keywords強相関系 / バンド計算 / 物性理論 / 磁性 / 強相関 / 強相関電子
Research Abstract

The first principle band calculation method for 4f electron systems is developed based on dynamical mean field theory. The calculations take into account the crystal-field splitting, the spin-orbit interaction and the exchange process of f^1→f^0, f^2 virtual excitations. Applications to Ce compounds with the AuCu_3-type structure(CePd_3, CeRh_3, CeIn_3, CeSn_3) are carried out, and calculation know-how's are accumulated. Kondo temperatures of these compounds are reasonable reproduced. The Fermi surfaces are obtained to be almost identical to those of bands calculated by the local density approximation except for CeIn_3.For CeIn_3, experimental results of de Haas-van Alphen effect are reproduced including the results of cyclotron masses.

Report

(4 results)
  • 2011 Annual Research Report   Final Research Report ( PDF )
  • 2010 Annual Research Report
  • 2009 Annual Research Report
  • Research Products

    (30 results)

All 2012 2011 2010 2009

All Journal Article (13 results) (of which Peer Reviewed: 12 results) Presentation (17 results)

  • [Journal Article] Heavy Fermion 4f Band in the "Localized" AF Ordering Regime of CeIn_32012

    • Author(s)
      Osamu Sakai
    • Journal Title

      JPSJ Online-News and Comments

    • Related Report
      2011 Final Research Report
  • [Journal Article] Band Calculations for Ce Compounds with AuCu_3-Type Crystal Structure on the Basis of Dynamical Mean Field Theory : II. CeIn_3 and CeSn_32012

    • Author(s)
      Osamu Sakai and Hisatomo Harima
    • Journal Title

      J. Phys. Soc. Jpn

      Volume: 81

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Band Calculations for Ce Compounds with AuCu3-Type Crystal Structure on the Basis of Dynamical Mean Field Theory : II. CeIn3 and CeSn32012

    • Author(s)
      酒井治
    • Journal Title

      J.Phys.Soc.Jpn

      Volume: 81 Issue: 2 Pages: 024717-024717

    • DOI

      10.1143/jpsj.81.024717

    • NAID

      210000109410

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Spiral magnetic structure in spin-5/2 frustrated trimerized chains in SrMn_3P_4O_<14>2011

    • Author(s)
      Masashi Hase, Vladimir Yu Pomjakushin, Lukas Keller, Andreas D. nni, Osamu Sakai, Tao Yang, Rihong Cong, Jianhua Lin, Kiyoshi Ozawa, and Hideaki Kitazawa
    • Journal Title

      Phys. Rev. B

      Volume: 84

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] First Principle DMFT Band Calculation for Ce Compounds with AuCu_3-type Crystal Structure2011

    • Author(s)
      Osamu Sakai and Hisatomo Harima
    • Journal Title

      J. Phys. Soc. Jpn

      Volume: 80

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] First Principle DMFT Band Calculation for Ce compounds with AuCu_3-type Crystal Structure2011

    • Author(s)
      酒井治
    • Journal Title

      J.Phys.Soc.Jpn.

      Volume: 80

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] ral magnetic structure in spin-5/2 frustrated trimerized chains in SrMn_3P2011

    • Author(s)
      長谷正司
    • Journal Title

      Phys.Rev.B

      Volume: 84 Issue: 18

    • DOI

      10.1103/physrevb.84.184435

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Formation and disruption of current paths of anodic porous alumina films by conducting atomic force microscopy2010

    • Author(s)
      K. Oyoshi, S. Nigo, J. Inoue, O. Sakai, H. Kitazawa and G. Kido
    • Journal Title

      Applied Surface Science

      Volume: 257 Pages: 837-841

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Band Calculations for Ce Compounds with AuCu_3-type Crystal Structure on the basis of Dynamical Mean Field Theory : I. CePd_3 and CeRh_32010

    • Author(s)
      Osamu Sakai
    • Journal Title

      J. Phys. Soc. Jpn

      Volume: 79, No11

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Band Calculations for Ce Compounds with AuCu3-type Crystal Structure on the basis of Dynamical Mean Field Theory : I.CePd3 and CeRh32010

    • Author(s)
      O.Sakai
    • Journal Title

      Journal of Physical Society of Japan

      Volume: 79

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Formation and Disruption of Current Paths of Anodic porous Alumina Film by Conducting Atomic Force Microscopy2010

    • Author(s)
      K.Oyoshi
    • Journal Title

      Applied Surface Science

      Volume: 252 Pages: 837-841

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Resonant Magnetic X-ray Diffraction Study on the Triangular Lattice Antiferromagnet GdPd_2Al_32009

    • Author(s)
      Toshiya Inami, Noriki Terada, Hideaki Kitazawa and Osamu Sakai
    • Journal Title

      J. Phys. Soc. Jpn

      Volume: 78, No8

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Resonant Magnetic X-ray Diffraction Study on the Triangular Lattice Antiferromagnetic GdPd_2Al_32009

    • Author(s)
      T.Inami
    • Journal Title

      Journal of Physical Society of Japan 78

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Presentation] DMFT計算によるCeIn_3とCeSn_3のフェルミ面構造とサイクロトロン質量2012

    • Author(s)
      酒井治,播磨尚朝
    • Organizer
      日本物理学会2012年第67回年次大会
    • Place of Presentation
      関西学院大学西宮上ヶ原キャンパス(西宮市)
    • Year and Date
      2012-03-26
    • Related Report
      2011 Final Research Report
  • [Presentation] DMFT計算によるCeIn3とCeSn3のフェルミ面構造とサイクロトロン質量2012

    • Author(s)
      酒井治
    • Organizer
      日本物理学会第67回年次大会
    • Place of Presentation
      西宮市関西学院大学
    • Year and Date
      2012-03-26
    • Related Report
      2011 Annual Research Report
  • [Presentation] 希土類化合物Ce3Pd20Si6の近藤効果II2011

    • Author(s)
      阿野元貴,藤田雅也,三本啓輔,赤津光洋,根本祐一,後藤輝孝,小野宏基,武田直也,酒井治, Andreas Donni,北澤英明
    • Organizer
      日本物理学会2011年度秋季大会
    • Place of Presentation
      富山大学五福キャンパス(富山市)
    • Year and Date
      2011-09-24
    • Related Report
      2011 Final Research Report
  • [Presentation] 希土類化合物ce3Pd20Si6の近藤効果II2011

    • Author(s)
      阿野元貴
    • Organizer
      日本物理学会2011年秋季大会
    • Place of Presentation
      富山市富山大学
    • Year and Date
      2011-09-24
    • Related Report
      2011 Annual Research Report
  • [Presentation] 超音波によるCe_3Pd_20Si_6の近藤効果の研究2011

    • Author(s)
      松尾一穂,藤田雅也,阿野元貴,荒木幸治,立川喜章,三本啓輔,赤津光洋,根本祐一,後藤輝孝,武田直也,酒井治, Andreas Donni,北澤英明
    • Organizer
      日本物理学会第66回年次大会
    • Place of Presentation
      新潟大学五十嵐キャンパス(新潟市)
    • Year and Date
      2011-03-25
    • Related Report
      2011 Final Research Report
  • [Presentation] 動的平均場理論によるCeIn_3に対する第一原理バンド計算II2011

    • Author(s)
      酒井治,播磨尚朝
    • Organizer
      日本物理学会第66回年次大会
    • Place of Presentation
      新潟大学五十嵐キャンパス(新潟市)
    • Year and Date
      2011-03-25
    • Related Report
      2011 Final Research Report
  • [Presentation] 動的平均場理論によるCeIn3にたいする第一原理バンド計算II2011

    • Author(s)
      酒井治, 播磨尚朝
    • Organizer
      日本物理学会2011年第66回年次大会
    • Place of Presentation
      新潟大学五十嵐キャンパス(新潟県)
    • Year and Date
      2011-03-25
    • Related Report
      2010 Annual Research Report
  • [Presentation] 超音波によるCe3Pd20Si6の近藤効果の研究2011

    • Author(s)
      松尾一穂
    • Organizer
      日本物理学会2011年第66回年次大会
    • Place of Presentation
      新潟大学五十嵐キャンパス(新潟県)
    • Year and Date
      2011-03-25
    • Related Report
      2010 Annual Research Report
  • [Presentation] 動的平均場理論によるCeIn_3に対する第一原理バンド計算2010

    • Author(s)
      酒井治,播磨尚朝
    • Organizer
      日本物理学会2010年度秋季大会
    • Place of Presentation
      大阪府立大学中百舌鳥キャンパス(堺市)
    • Year and Date
      2010-09-18
    • Related Report
      2011 Final Research Report
  • [Presentation] First Principle DMFT-Band Calculation for Ce-compounds with AuCu3 Type Crystal Structure2010

    • Author(s)
      O.Sakai
    • Organizer
      International Conference on Heavy Electrons 2010
    • Place of Presentation
      首都大学東京(東京都)
    • Year and Date
      2010-09-18
    • Related Report
      2010 Annual Research Report
  • [Presentation] 動的平均場理論によるCeIn3にたいする第一原理バンド計算2010

    • Author(s)
      酒井治, 播磨尚朝
    • Organizer
      日本物理学会2010年秋季大会
    • Place of Presentation
      大阪府立大学中百舌鳥キャンパス(大阪府)
    • Year and Date
      2010-09-18
    • Related Report
      2010 Annual Research Report
  • [Presentation] DMFTの現状と課題2010

    • Author(s)
      酒井治
    • Organizer
      日本物理学会第65回年次大会
    • Place of Presentation
      岡山大学津島キャンパス(岡山市)
    • Year and Date
      2010-03-21
    • Related Report
      2011 Final Research Report
  • [Presentation] 結晶場近藤効果競合系の比熱・帯磁率の計算簡易パッケージCXcalの紹介とそれによる実験の解析2010

    • Author(s)
      酒井治,北澤英明
    • Organizer
      日本物理学会第65回年次大会
    • Place of Presentation
      岡山大学津島キャンパス(岡山市)
    • Year and Date
      2010-03-21
    • Related Report
      2011 Final Research Report
  • [Presentation] 結晶場近藤効果競合系の比熱・帯磁率計算簡易パッケージCXcalの紹介とそれによる実験の解析2010

    • Author(s)
      酒井治
    • Organizer
      日本物理学会2010年第65回年次大会
    • Place of Presentation
      岡山大学津島キャンパス(岡山市)
    • Year and Date
      2010-03-21
    • Related Report
      2009 Annual Research Report
  • [Presentation] DMFTの現状と課題2010

    • Author(s)
      酒井治
    • Organizer
      日本物理学会2010年第65回年次大会
    • Place of Presentation
      岡山大学津島キャンパス(岡山市)
    • Year and Date
      2010-03-21
    • Related Report
      2009 Annual Research Report
  • [Presentation] 動的平均馬理論による金銅3型Ce化合物の第一原理バンド計算II2009

    • Author(s)
      酒井治
    • Organizer
      日本物理学会2009年秋季大会
    • Place of Presentation
      熊本大学黒髪キャンパス(熊本市)
    • Year and Date
      2009-09-25
    • Related Report
      2011 Final Research Report
  • [Presentation] 動的平均場理論による金銅3型Ce化合物の第一原理バンド計算II2009

    • Author(s)
      酒井治
    • Organizer
      日本物理学会2009年秋季大会
    • Place of Presentation
      熊本大学黒髪キャンパス(熊本市)
    • Year and Date
      2009-09-25
    • Related Report
      2009 Annual Research Report

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Published: 2009-04-01   Modified: 2020-05-15  

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