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SELF-CONSISTENT CALCULATION OF ANGLE-RESOLVED ULTRAVIOLET PHOTOEMISSION SPECTROSCOPY

Research Project

Project/Area Number 06640444
Research Category

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

Allocation TypeSingle-year Grants
Research Field 固体物性Ⅰ(光物性・半導体・誘電体)
Research InstitutionTOTTORI UNIVERSITY

Principal Investigator

ISHII Akira  TOTTORI UNIVERSITY FACULTY OF ENGINEERING ASSOCIATE PROFESSOR, 工学部, 助教授 (70183001)

Co-Investigator(Kenkyū-buntansha) OGUCHI Tamio  HIROSHIMA UNIVERSITY FACULTY OF SCIENCE ASSOCIATE PROFESSOR, 理学部, 助教授 (90253054)
AISAKA Tsuyoshi  TOTTORI UNIVERSITY FACULTY OF ENGINEERING PROFESSOR, 工学部, 教授 (80032316)
Project Period (FY) 1994 – 1995
Project Status Completed (Fiscal Year 1995)
Budget Amount *help
¥1,300,000 (Direct Cost: ¥1,300,000)
Fiscal Year 1995: ¥800,000 (Direct Cost: ¥800,000)
Fiscal Year 1994: ¥500,000 (Direct Cost: ¥500,000)
KeywordsARUPS / First-principle Calculation / Surface / LMTO / APW / Layr-KKR / 固体表面 / FLAPW / 銅
Research Abstract

This project demonstrated the way to include self-consistent first principle calculation into angle-resolved ultraviolet photoemission spectroscopy (ARUPS) in such a way that the potentials constructed from the first principle calculation is used as input potentials for the ARUPS spectrum calculation program. The potentials we obtained from the first principle calculation is constructed layr by layr as a result of repeated slab calculation. Since we use layr-KKR method in the ARUPS program, it is not difficult to convert the potentials of the first principle calculation to the conventional muffin-tin potential. We employed the full-potential LMTO for Ni (100), Ni (110), and Ni (111) surface and APW for Cu (100) surface. The results shows us that we can improve the quantitative agreement between the calculated ARUPS spectra and experimentally obtaied spectra far better when we use the self-consistent muffin-tin potentials.

Report

(3 results)
  • 1995 Annual Research Report   Final Research Report Summary
  • 1994 Annual Research Report
  • Research Products

    (7 results)

All Other

All Publications (7 results)

  • [Publications] A. Ishii,: "Theory of spin-polarized angle-resolved photoemission spectroscopy of ferromagnetic nickel surfaces" Physical Review B. 51. 12498-12505 (1995)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] A. Ishii,: "Surface sensitivity in self-consistent calculation of angle-resolved photoemission for Cu (100)" Surface Science. (印刷中).

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] A. Ishii: "Theory of Angle-resolved photoemission calculation with circular-polarized light" Surface Science. (印刷中).

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] A.Ishii, K.Yamada, T.Aisaka and T.Kraft: "Theory of spin-polarized angle-resolved photoemission spectroscopy of ferromagnetic nickel surfaces" Physical Review B. volume 51. 12498-12505 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] A.Ishii, T.Oguchi, K.Yamada and T.Aisaka: "Surface sensitivity in self-consistent calculation of angle-resolved photoemission for Cu (100)" Surface Science. (in press).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] A.Ishii and K.Yamada: "Theory of Angle-resolved photoemission calculation with circular-polarized light" Surface Science. (in press).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] 石井,小口,山田,逢坂: "Surface sensitivity in self-consistent calculation of angle-resolved photoemission for cu (100)" Surface Science. (印刷中).

    • Related Report
      1995 Annual Research Report

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Published: 1994-04-01   Modified: 2020-05-15  

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