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First-principles calculation of the electronic structure of metal/insulator interfaces

Research Project

Project/Area Number 20540320
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Condensed matter physics I
Research InstitutionNihon University

Principal Investigator

ISHIDA Hiroshi  Nihon University, 文理学部, 教授 (60184537)

Project Period (FY) 2008 – 2010
Project Status Completed (Fiscal Year 2010)
Budget Amount *help
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2010: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2009: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2008: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
Keywords第一原理計算 / 密度汎関数法 / 動的平均場理論 / ヘテロ界面 / 金属絶縁体転移 / トンネル接合 / エムベッディッドGreen関数法 / 強相関物質 / クラスター動的平均場理論 / Green関数法 / 動的平均場近似 / 半無限計算 / 金属絶縁体界面
Research Abstract

We studied the electronic structure of metal/insulator interfaces by quantum mechanical calculations. In particular, to describe the Mott insulator arising from strong Coulomb interactions, we derived a method to apply dynamical mean-field theory to multilayer systems such as semi-infinite interfaces. By applying this method and also by incorporating interatomic correlation effects, we clarified how metallic states penetrate into the insulator layers at the metal/Mott insulator interface.

Report

(4 results)
  • 2010 Annual Research Report   Final Research Report ( PDF )
  • 2009 Annual Research Report
  • 2008 Annual Research Report
  • Research Products

    (17 results)

All 2010 2009 2008 Other

All Journal Article (10 results) (of which Peer Reviewed: 9 results) Presentation (4 results) Remarks (3 results)

  • [Journal Article] Correlation induced spin freezing transition in FeSe : A dynamical mean field theory2010

    • Author(s)
      A.Liebsch, H.Ishida
    • Journal Title

      Physical Review B 82巻

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Cluster dynamical mean-field study of strongly correlated heterostructures : Correlation-induced reduction of proximity effect2010

    • Author(s)
      H.Ishida, A.Liebsch
    • Journal Title

      Physical Review B 82巻

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Fermi-liquid, non-Fermi-liquid, and Mott phases in iron pnictides and cuprates2010

    • Author(s)
      H.Ishida, A.Liebsch
    • Journal Title

      Physical Review B 81巻

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Cluster dynamical mean-field study of strongly correlated heterostructures : Correlation-induced reduction of proximity effect2010

    • Author(s)
      H.Ishida, A.Liebsch
    • Journal Title

      Physical Review B

      Volume: 82

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Correlation-induced spin freezing transition in FeSe :A dynamical mean field theory2010

    • Author(s)
      A.Liebsch, H.Ishida
    • Journal Title

      Physical Review B

      Volume: 82

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Fermi-liquid, non-Fermi-liquid, and Mott phases in iron pnictides and cuprates2010

    • Author(s)
      H.Ishida, A.Liebsch
    • Journal Title

      Physical Review B 81

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Mott transition in two-dimensional frustrated compounds2009

    • Author(s)
      A.Liebsch, H.Ishida, J.Merino
    • Journal Title

      Physical Review B 79巻

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Embedding approach for dynamical mean-field theory of strongly correlated heterostructures2009

    • Author(s)
      H.Ishida, A.Liebsch
    • Journal Title

      Physical Review B 79巻

    • Related Report
      2010 Final Research Report
  • [Journal Article] Mott transition in two-dimensional frustrated compounds2009

    • Author(s)
      A.Liebsch, H.Ishida, J.Merino
    • Journal Title

      Physical Review B 79

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Embedding approach for dynamical mean-field theory of strongly correlated heterostructures2009

    • Author(s)
      H. Ishida, A. Liebsch
    • Journal Title

      Physical Review B 79

      Pages: 45130-45130

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Presentation] Cluster dynamical mean-field study of strongly correlated heterostructures2010

    • Author(s)
      H.Ishida, A.Liebsch
    • Organizer
      Emergent Quantum States in Complex Correlated Matter
    • Place of Presentation
      ドイツ・ドレスデン
    • Year and Date
      2010-08-23
    • Related Report
      2010 Final Research Report
  • [Presentation] Cluster dynamical mean-field study of strongly correlated heterostructures2010

    • Author(s)
      H.Ishida, A.Liebsch
    • Organizer
      International Workshop on Emergent Quantum States in Complex Correlated Matter
    • Place of Presentation
      Max-Planck Institute for Physics of Complex Systems, Dresden, Germany
    • Year and Date
      2010-08-23
    • Related Report
      2010 Annual Research Report
  • [Presentation] Embedded Green-function approach for the calculation of surface electronic structure and electron transport through nanocontacts2008

    • Author(s)
      H.Ishida
    • Organizer
      44th Workshop : Dynamical phenomena in low Dimensional Systems
    • Place of Presentation
      イタリア・エリーチェ
    • Year and Date
      2008-07-23
    • Related Report
      2010 Final Research Report
  • [Presentation] Embedded Green-function approach for the calculation of surface electronic structure and electron transport through nanocontacts2008

    • Author(s)
      H. Ishida
    • Organizer
      44th Workshop : Dynamical phenomena in low Dimensional Systems
    • Place of Presentation
      イタリア、シチリア州エジーチェ
    • Year and Date
      2008-07-23
    • Related Report
      2008 Annual Research Report
  • [Remarks] ホームページ等

    • URL

      http://zwo.phys.chs.nihon-u.ac.jp

    • Related Report
      2010 Final Research Report
  • [Remarks]

    • URL

      http://zwo.phys.chs.nihon-u.ac.jp

    • Related Report
      2009 Annual Research Report
  • [Remarks]

    • URL

      http://zwo.phys.chs.nihon-u.ac.jp

    • Related Report
      2008 Annual Research Report

URL: 

Published: 2008-04-01   Modified: 2020-05-15  

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