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Theoretical Studies on Many-Body Effects in Core Spectroscopies by Nonequilibrium Green 's Functions

Research Project

Project/Area Number 13640318
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field 固体物性Ⅰ(光物性・半導体・誘電体)
Research InstitutionChiba University

Principal Investigator

FUJIKAWA Takashi  Chiba University, Graduate school of science and technology, professor, 大学院・自然科学研究科, 教授 (30114987)

Project Period (FY) 2001 – 2004
Project Status Completed (Fiscal Year 2004)
Budget Amount *help
¥3,500,000 (Direct Cost: ¥3,500,000)
Fiscal Year 2004: ¥700,000 (Direct Cost: ¥700,000)
Fiscal Year 2003: ¥700,000 (Direct Cost: ¥700,000)
Fiscal Year 2002: ¥1,000,000 (Direct Cost: ¥1,000,000)
Fiscal Year 2001: ¥1,100,000 (Direct Cost: ¥1,100,000)
KeywordsXPS / XAFS / nonequilibrium Gneen's functions / loss effects / resonant effects / optical field effects / 共鳴効果 / 相対論効果 / 光電子回折 / XPD / 多体効果 / MARPE
Research Abstract

Many-body theory of X-ray photoelectron diffraction(XPD) spectra is developed by using Keldysh's nonequilibrium Green's functions, which was basically applied by Caroli et al. We have applied skeleton diagram expansion in terms of dressed one-electron Green's function G and the screened Coulomb interaction W. The damping photoelectron wave functions under the influence of the optical potential play a central role of the present XPD theory. Based on the present theoretical framework, we give detailed discussion on Debye-Waller and Franck-Condon factors in XPD spectra at finite temperature, resonance effects in particular multi atom resonant photoemission(MARPE) effects, and also on the loss effects. The XPD spectra is simply described by a product of the Franck-Condon factor and the XPD intensity including the Debye-Waller factor. This result is contrast to the XAFS where the Franck-Condon factor is smeared out by a convolution product. We have discussed the conditions which give rise to prominent MARPE spectra. In particular symmetry lowering plays an important role to give rise to prominent MARPE spectra. The angular dependence provides us useful information on near neighbor atomic arrangement. Some model calculations clarify the basic physical processes of MARPE spectra. To discuss the loss spectra, we stress the importance of the interference effects between the intrinsic and extrinsic losses. The explicit formulas which include both inelastic and elastic scatterings are newly derived in the present theoretical framework. These formulas enable us to calculate XPD pattern associated with losses. We also have found the importance of the radiation field screening to describe the resonance effects in particular MARPE. As we realized the quantum electrodynamic(QED) theory, the project to include optical field effects in XPS and X-ray absorption spectra.

Report

(5 results)
  • 2004 Annual Research Report   Final Research Report Summary
  • 2003 Annual Research Report
  • 2002 Annual Research Report
  • 2001 Annual Research Report
  • Research Products

    (36 results)

All 2004 2003 Other

All Journal Article (15 results) Book (2 results) Publications (19 results)

  • [Journal Article] Measurement and multiple scattering calculation of Cu K-edge x-ray magnetic circular dichroism spectra from an exchange-copuled Co/Cu multilayer2004

    • Author(s)
      S.Nagamatsu, H.Matsumoto, T.Fujikawa, K.Ishiji, H.Hashizume
    • Journal Title

      Physical Review B 70,17

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Fe K-edge X-ray magnetic circular dichroism analyses of Fe-M(M=Si, Al, Sn) Alloys2004

    • Author(s)
      K.Okamoto, S.Nagamatsu, E.V.Voronina, T.Miyanaga, T.Fujikawa
    • Journal Title

      J.Electron Spectroscopy 141

      Pages: 5-11

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Relativistic QED approach to XPS and XAFS spectra2004

    • Author(s)
      T.Fujikawa
    • Journal Title

      J.Electron Spectroscopy 136

      Pages: 85-98

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] First-principle approach to X-ray scattering from solids2004

    • Author(s)
      T.Fujikawa, T.Konishi, T.Fukamachi
    • Journal Title

      J.Electron Spectroscopy 134

      Pages: 195-206

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Measurement and multiple-scattering calculation of Cu K-edge x-ray magnetic circular dichroism spectra from an exchange-coupled Co/Cu multilayer2004

    • Author(s)
      S.Nagamatsu, H.Matsumoto, T.Fujikawa (Chiba University), K.Ishiji, H.Hashizume
    • Journal Title

      Phys.Rev.B 70

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Fe K-edge X-ray Magnetic Circular Dichroism Analyses of Fe-M(M=Si,Al,Sn) Alloys2004

    • Author(s)
      K.Okamoto, S.Nagamatsu, E.V.Voronina, T.Miyanaga, T.Fujikawa
    • Journal Title

      J.Elect.Spect. 141

      Pages: 5-11

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Relativistic QED approach to XPS and XAFS spectra2004

    • Author(s)
      T.Fujikawa
    • Journal Title

      J.Elect.Spect. 141

      Pages: 85-98

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] A first-principle approach to X-ray scattering from solids2004

    • Author(s)
      T.Fujikawa, T.Konishi, T.Fukamachi
    • Journal Title

      J.Elect.Spect. 134

      Pages: 195-206

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Measurement and multiple scattering calculation of Cu K-edge x-ray magnetic circular dichroism spectra from an exchange-coupled Co/Cu multilayer2004

    • Author(s)
      S.Nagamatsu, H.Matsumoto, T.Fujikawa, K.Ishiji, H.Hashizume
    • Journal Title

      Physical Review B 70,17

      Pages: 174442-174442

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Fe K-edge X-ray magnetic circular dichroism analyses of Fe-M(M=Si, Al, Sn) Alloys2004

    • Author(s)
      K.Okamoto, S.Nagamatsu, E.V.Voronina, T.Miyanaga, T.Fujikawa
    • Journal Title

      J. Electron Spectroscopy 141

      Pages: 5-11

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Relativistic QED approach to XPS and XAFS spectra2004

    • Author(s)
      T.Fujikawa
    • Journal Title

      J. Electron Spectroscopy 136

      Pages: 85-98

    • Related Report
      2004 Annual Research Report
  • [Journal Article] First-principle approach to X-ray scattering from solids2004

    • Author(s)
      T.Fujikawa, T.Konishi, T.Fukamachi
    • Journal Title

      J. Electron Spectroscopy 134

      Pages: 195-206

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Nonequilibrium Green's function approach to core spectroscopies2003

    • Author(s)
      T.Fujikawa, H.Arai
    • Journal Title

      Recent Research Development of Physics 4

      Pages: 657-703

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Importance of radiation field screening in XPS and XAFS spectra2003

    • Author(s)
      T.Fujikawa, H.Arai
    • Journal Title

      Chem.Phys.Lett. 368

      Pages: 147-152

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Green's function approach to core spectroscopies2003

    • Author(s)
      T.Fujikawa, H.Arai
    • Journal Title

      Recent Research Development of Physics 4

      Pages: 657-703

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Book] 化学のための数学2004

    • Author(s)
      藤川高志, 朝倉清高
    • Total Pages
      204
    • Publisher
      しょうか房
    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Annual Research Report 2004 Final Research Report Summary
  • [Book] Chemical Mathematics2004

    • Author(s)
      T.Fujikawa, K.Asakura
    • Total Pages
      204
    • Publisher
      Syokabo publishing Co
    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Publications] T.Fujikawa: "Relativistic multiple scattering theory of K-edge X-ray magnetic circular dichroism"J.Elect.Spect.. 129. 55-69 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] T.Miyanaga: "Magnetic X-ray absorption fine structure for Ni-Mn alloys"J.Synchrotron Rad.. 10. 113-119 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] T.Fujikawa: "Relativistic Short-Range-Order X-ray Photoelectron Diffaction Theory"J.Phys.Soc.Jpn.. 72. 2265-2276 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] T.Okubo: "Structural Anomalies of Rb and Br ionic Nanosolutionsin Hydrophobic Slit-Shaped Solid Space as revealed by the EXAFS technique"J.Phys.Chem.. B107. 13616-13622 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] T.Fujikawa: "A first-principle approach to X-ray scattering from solids"J.Elect.Spect.. 134. 195-206 (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] T.Fujikawa: "Importance of radiation field screening in XPS and XAFS spectra"Chem Phys.Letters. 368. 147-152 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] T.Fujikawa: "Multiple Scettering Approach to the Angular Dependence of K-edge Magnetic Circular Dichroism"Jpn. J. Appl. Phys.. 41. 2005-2013 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] Y.Notoya: "Multiple Scattering Approach to the Pt L2-edge XANES of CO adsorbed on small Pt particles"Chem. Phys. Letters. 357. 365-370 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] I.Yamamoto: "Multiple Scattering Approach to Co K-edge XMCD and XANES Spectra in Gd-Co Alloys"J. Elect. Spect.. 125. 89-98 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] T.Okuda: "Spin Arrangement of the Mn/Fe(001) system investigated by spin-polarized photoelectron diffraction"Surface Rev. and Letters. 9. 901-906 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] T.Ohkubo: "Restricted Hydration Structures of Rb and B Ions Confined in Slit-Shaped Carbon Nanospace"J. Am. Chem. Soc.. 124. 11860-11861 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] T.Fujikawa: "Importance of radiation field screening in XPS and XAFS spectra"Chem. Phys. Letters. 368. 147-152 (2003)

    • Related Report
      2002 Annual Research Report
  • [Publications] T. Fujikawa: "XAFS Theory Studied by Closed-path Green's function theory"J. Synchrotron Radiation. 6. 76-80 (2001)

    • Related Report
      2001 Annual Research Report
  • [Publications] K. Hatada: "Theoretical Study of the non-local optical potential in EXAFS spectra"J. Synchrotron Radiation. 6. 207-209 (2001)

    • Related Report
      2001 Annual Research Report
  • [Publications] T. Fujikawa: "Partitioning Method Applied to X-ray Absorption Near Edge Structure Calculations"J. Phys. Soc. Japan. 71. 357-362 (2002)

    • Related Report
      2001 Annual Research Report
  • [Publications] T. Fujikawa: "Many-Body Theory of Core-Level Photoemission by Keldysh Green's Functions"J. Elect. Spect. and Related Phenon.. 123. 19-46 (2002)

    • Related Report
      2001 Annual Research Report
  • [Publications] T. Fujikawa: "Multiple Scattering Approach to the Angular Dependence of K-edge MCD"Jap. J. Appl. Phys.. 41 4月号(印刷中). (2002)

    • Related Report
      2001 Annual Research Report
  • [Publications] 荒井礼子: "XPDにおける非局所光学ポテンシャルの理論的研究"表面科学. 22. 478-482 (2001)

    • Related Report
      2001 Annual Research Report
  • [Publications] T. Fujikawa: "Handbook of Thin Film Materials Vol. 2"Academic Press. 63 (2002)

    • Related Report
      2001 Annual Research Report

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Published: 2001-04-01   Modified: 2020-05-15  

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