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Theoretical Design of New Materials and Prediction of Electronic Structures and Properties of the Materials

Research Project

Project/Area Number 61460035
Research Category

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

Allocation TypeSingle-year Grants
Research Field 物性一般(含極低温・固体物性に対する理論)
Research InstitutionThe University of Tokyo

Principal Investigator

KAMIMURA Hiroshi  Department of Physics, Faculty of Science, The university of Tokyo, 理学部, 教授 (60011475)

Co-Investigator(Kenkyū-buntansha) TSUKADA Masaru  Department of Physics, Faculty of Science, The university of Tokyo, 理学部, 助教授 (90011650)
Project Period (FY) 1986 – 1988
Project Status Completed (Fiscal Year 1988)
Budget Amount *help
¥6,500,000 (Direct Cost: ¥6,500,000)
Fiscal Year 1988: ¥2,000,000 (Direct Cost: ¥2,000,000)
Fiscal Year 1987: ¥2,100,000 (Direct Cost: ¥2,100,000)
Fiscal Year 1986: ¥2,400,000 (Direct Cost: ¥2,400,000)
Keywordshigh Tc superconductivity / semiconductor superlattice / semiconductor-metal super-lattice / qraphite intercalation compounds / doped semiconductors / microclusters / mesoscopic regime / MgO polar surface / 反強磁性絶縁体 / スピンポーラロン対 / 臨界温度 / アンダーソン局在 / MCSCF変分性 / 電子付着断面積 / 電界脱離 / 超薄膜半導体超格子 / 半導体・金属超格子 / 二次元準結晶
Research Abstract

Many recent advances in condensed matter physics me due to vigorous interaction among physic material science and technology. Such interaction is schematically expressed by the corrlation diagra shown in Fig. 1. This correlation diagramindicates poss bilities towards 21st century that we can mak new materials according to our desires and the birth of such man made materials leads to discovery new phenomena and new physical concepts, and that new devices are invented from them.
The purpose of the present research project was twofold:(1) to establish a theoretical framewor to calculate the electronic structures and the stability of such new materials and (2) to design a ne hypothetical stable material with use of the theory established by (1).
Accelerated by perpetual desire to find concepts and new phenomena, we have chosen the followin eight categories of materials as the object of sutdy; (1) semiconductor ultrathin layered superlattice (2)semiconductor-metal superlattices, (3)graphite i … More ntercalation compounds, (4) doped semiconducto which exhibit a metal-insulator transition, (5) microclusters in a mesoscopic regime, (6) quasi-crystal (7) new material phases on surface, and (8) high temperature superconducting copper oxides.
The outstanding results obtained by this project were the following: (1) the proposal and develop ment of spin-polaron pairing mechanism in high T_ccopper oxides, (2) the proposal and development intercalation compounds (GIC_s), (3) clarification of the origin of paramagnetic orbital susceptibilit of GIC_s, (4) elucidation of the origin of the NMR shift in GIC_s and graphite, (5) development of theoretical framework to treat the interplay between discover and electron-electron interaction in a Anderson-localized regime near the metal-insulator transition in doped semiconductors. (6) develop ment of new variational methods to treat many-body problems in new materials in a mesoscopic regim such as impurity clusters and metallic microclusters which are multiconfigulation self-consistent fie (MCSCF) method and floating ellipsoidal gaussian orbital (FEGO) method, (8) the electronic stru ture calculation of the new material phases on surfaces for MgO polar surface, Si(100)2X1/alkeli, an Si(100) reconstructed surface, (9) development of a the oretical framework to treat the dynamics an electronic attachment of miclocluster.
As mentioned above, the group of the present research project has been working actively and ha accomplished a number of new interesting and important rnsults. Less

Report

(4 results)
  • 1988 Annual Research Report   Final Research Report Summary
  • 1987 Annual Research Report
  • 1986 Annual Research Report
  • Research Products

    (81 results)

All Other

All Publications (81 results)

  • [Publications] H.Kamimura: Int.J.Mod.Phys.B1. 873-887 (1987)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] H.Kamimura: Solid State Commun.67. 363-367 (1988)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] K.Shiraishi: Solid State Commun.66. 629-633 (1988)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] A.Oshiyama: Phisica B.

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] H.Kamimura: Comments Condensed Matter Physics. 13. 143-165 (1987)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] K.Shiraishi: J.Phys.Soc.Japan. 55. 1716-1727 (1986)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] H.Kamimura: Synthetic Metals. 23. 171-175 (1988)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] R.Saito: Synthetic Metals. 23. 265-271 (1988)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] M.Eto: Phys.Rev.Lett.61. 2790-2793 (1988)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] T.Hatakeyama: J.Phys.Soc.Japan. 58. (1989)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] O.Sugino: submitted to Phys.Rev.Lett.

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] M.Tsukada.: Phys.and Chem.of Mierals. 15. 35 (1987)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] H.Kamimura;A.Oshiyama 編: "Springer,Heidelberg" Mechanism of high temperature super-conductivity, (1989)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] H.Kamimura;H.Aoki: "Oxford University Press" Physics of Interacting Electrons in Disordered System, (1989)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] H. Kamimura: "Jahn-Teller-Effect mediated hole-pair tunneling and superconductivity in high Tc copper oxides" Int. J. Mod. Phys.B1. 873-887 (1987)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] H. Kamimura, S. Matsuno, and R. Saito: "Spin-polaron pairing and high-temperature superconductivity" Solid State Commun.67. 363-367 (1988)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] K. Shiraishi; A. Oshiyama; N. Shima; T. Nakayama; H. Kamimura: "Spin-polarized electronic structure of La_2CuO_4" Solid State Commun.66. 629-633 (1988)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] A. Oshiyama; K. Shiraishi; T. Nakayama; N. Shima; H. Kamimura: "Band Structure and antiferomagnetism of (La_<1-x>Sr_x)_2CuO_4" Phisica B, Proc. Int. Conf. HTSC M2S (to be published).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] H. Kamimura; T. Nakayama: "Electronic structures and optical properties of ultrathin-layered semiconductor superlattice" Comments Condensed Matter Physics. 13. 143-165 (1987)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] K. Shiraishi; H. Kamimura: "Electronic Structure of Metal-Semiconductor Superlattice" J. Phys. Soc. Jpn.55. 1716-1727 (1986)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] H. Kamimura: "Interlayer bands in first stage alkali-GICs C_8M" Synthetic Metals. 23. 171-175 (1988)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] R. Saito; K. Kobayashi; M. Tsukada; H. Kamimura: "Theory of nuclear magnetic resonance in graphite and graphite intercalation compounds" Synthetic Metals. 23. 265-271 (1988)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] M. Eto; H. Kamimura: "New theoretical method for strongly correlated random systems and appli-cation to Anderson localised state in Si;P" Phys. Rev. Lett.61. 2790-2793 (1988)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] T. Hatakeyama; H. Kamimura: "Electronic properties of a Penrose tiling lattice in a magnetic field" J. Phys. Soc. Jpn.58. (1989)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] O. Sugino; H. Kamimura: "Explanation of alkali-metal magic numbers using "metalic-bond model"" to Phys. Rev. Lett.

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] M. Tsukada; N. Shima: "Theory of Electronic Structurs and Chemisorption on Oxide Surfaces" Phys. and Chem. of Minerals. 15. 35 (1987)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] M. Tsukada,: "Static and Dynamic Properties of Microclusters" Proc. 15th Int. Conf. , Clustering Aspect in Nucl. and Subnucl. Systems J. Phys. Soc Japan. 58. 475 (1989)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] H. Kamimura; A. Oshiyama (eds.): "Mechanism of high Temperature Superconductivity". Springer, Heidelberg, (1989)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] H. Kamimura; H. Aoki: Physics of Interacting Electrons in Disordered Systems. Oxford University Press, (1989)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1988 Final Research Report Summary
  • [Publications] H.Kamimura: Int.J.Mod.phys.B1. 873-887 (1987)

    • Related Report
      1988 Annual Research Report
  • [Publications] H.Kmimura: Solid State Commun.67. 363-367 (1988)

    • Related Report
      1988 Annual Research Report
  • [Publications] K.Shiraishi: Soled State Commun.66. 629-633 (1988)

    • Related Report
      1988 Annual Research Report
  • [Publications] A.Oshiyama: Phisica B.

    • Related Report
      1988 Annual Research Report
  • [Publications] H.Kamimura: Comments Condensed Matter physics. 13. 143-165 (1987)

    • Related Report
      1988 Annual Research Report
  • [Publications] K.Shiraishi: J.Phys.Soc.Japan. 55. 1716-1727 (1986)

    • Related Report
      1988 Annual Research Report
  • [Publications] H.Kamimura: Synthetic Metals. 23. 171-175 (1988)

    • Related Report
      1988 Annual Research Report
  • [Publications] R.Saito: Synthetic Metals. 23. 265-271 (1988)

    • Related Report
      1988 Annual Research Report
  • [Publications] M.Eto: Phys.Rev.Lett.61. 2790-2793 (1988)

    • Related Report
      1988 Annual Research Report
  • [Publications] T.Hatakeyama: J.Phys.Soc.Japan. 58. (1989)

    • Related Report
      1988 Annual Research Report
  • [Publications] O.Sugino: submitted to Phys.Rev.Lett.

    • Related Report
      1988 Annual Research Report
  • [Publications] M.Tsukada: phys.and Chem.of Minerals. 15. 35 (1987)

    • Related Report
      1988 Annual Research Report
  • [Publications] H.Kamimura;A.Oshiyama eds.: "Springer,Heidelberg" Mechanism of high temperature super-conductivity, (1989)

    • Related Report
      1988 Annual Research Report
  • [Publications] H.Kamimura;H.Aoki: "Oxford university Press" Physics of Interacting Electrons in Disordered System, (1989)

    • Related Report
      1988 Annual Research Report
  • [Publications] Hiroshi Kamimura: International Journal of Modern Physics B. 1. 873-887 (1987)

    • Related Report
      1987 Annual Research Report
  • [Publications] Kenji Shiraishi;etal: to be published in Solid State Commun.(1988)

    • Related Report
      1987 Annual Research Report
  • [Publications] Hiroshi Kamimura: physics Today. 40. 64-71 (1987)

    • Related Report
      1987 Annual Research Report
  • [Publications] Hideo Aoki et al.: Solid State Commun.63. 665-669 (1987)

    • Related Report
      1987 Annual Research Report
  • [Publications] Masaru Tukada;etal.: J.Phys.Chem.87. 3927-3933 (1987)

    • Related Report
      1987 Annual Research Report
  • [Publications] Nobuyuki Shima: surf.Sci.194. 312-332 (1988)

    • Related Report
      1987 Annual Research Report
  • [Publications] 上村洸編著: "教科書「物質の科学II」" 放送大学教育振興会, < 180 (1988)

    • Related Report
      1987 Annual Research Report
  • [Publications] H.Kamimura: Comments on Condensed Matter Physics. (1987)

    • Related Report
      1986 Annual Research Report
  • [Publications] H.Kamimura: Proceedings of the 18th International Conference on the Physics of Semiconductor (World Scientific,Singapore). (1987)

    • Related Report
      1986 Annual Research Report
  • [Publications] H.Kamimura: Annales de Physique Colloque n°2,supplement au n°2. 11. 39-48 (1986)

    • Related Report
      1986 Annual Research Report
  • [Publications] H.Kamimura: Bulletin of APS. 31. 826 (1986)

    • Related Report
      1986 Annual Research Report
  • [Publications] A.Koma: Physical Review. B34. 2434-2438 (1986)

    • Related Report
      1986 Annual Research Report
  • [Publications] T.Hatakeyama: Solid State Communication. 62. 79-83 (1987)

    • Related Report
      1986 Annual Research Report
  • [Publications] H.Kamimura: Proc.of Sino-Japan Bilateral Workshop on Statistical Physics and Condensed Matter Thory,ed.Xie Xide (World Scientif. 16-23 (1986)

    • Related Report
      1986 Annual Research Report
  • [Publications] H.Akera: J.Phys.Soc.Japan. 55. 2326-2337 (1986)

    • Related Report
      1986 Annual Research Report
  • [Publications] O.Sugino: Proceedings of NEC symposium on microcluster (Springer). (1987)

    • Related Report
      1986 Annual Research Report
  • [Publications] A.Shimizu: Journal of Phisics C, Condensed matter physics. 19. 725-738 (1986)

    • Related Report
      1986 Annual Research Report
  • [Publications] R.Saito: Proc. of international Conference on Science and technology of Synthetic Metals (Synthetic Metals). 17. 81-86 (1987)

    • Related Report
      1986 Annual Research Report
  • [Publications] R.Saito: Physcal Review. (1987)

    • Related Report
      1986 Annual Research Report
  • [Publications] S.Watanabe: J.Phys.Soc.Japan. 56. 1078-1091 (1987)

    • Related Report
      1986 Annual Research Report
  • [Publications] S.Watanabe: Journal physics C.

    • Related Report
      1986 Annual Research Report
  • [Publications] S.Tsuneyuki: Physical Review. B34. 5758-5768 (1986)

    • Related Report
      1986 Annual Research Report
  • [Publications] S.Tsuneyuki: Surface Science.

    • Related Report
      1986 Annual Research Report
  • [Publications] Y.Tanaka: Solid State Communication. 59. 683-686 (1986)

    • Related Report
      1986 Annual Research Report
  • [Publications] Y.Tanaka: Solid State Communication. 61. 445-449 (1987)

    • Related Report
      1986 Annual Research Report
  • [Publications] M.Tsukada: Proc.of Sino-Japan Bilateral Workshop on Statistical Physics and Condensed Matter Theory(ed.Xie Xide,World Sci,). 164 (1986)

    • Related Report
      1986 Annual Research Report
  • [Publications] M.Tsukada: Physics and Chemistry of Minerals.

    • Related Report
      1986 Annual Research Report
  • [Publications] M.Tsukada: Proc.18th International Conference on physics of semiconductor.

    • Related Report
      1986 Annual Research Report
  • [Publications] M.Tsukada: "Micro Clusters"ed.S.Sugano and S.Ohnishi Springer.

    • Related Report
      1986 Annual Research Report
  • [Publications] K.Shiraishi: J.Phys.Soc.Japan. 55. 1716-1727 (1986)

    • Related Report
      1986 Annual Research Report
  • [Publications] 常行真司: 応用物理. 55. 878-889 (1986)

    • Related Report
      1986 Annual Research Report
  • [Publications] 上村洸: 日本物理学会誌. 41. 921-923 (1986)

    • Related Report
      1986 Annual Research Report
  • [Publications] 上村洸: 日本物理学会誌. 42. 3-4 (1987)

    • Related Report
      1986 Annual Research Report
  • [Publications] 塚田捷: 化学と工業. 39. 815 (1986)

    • Related Report
      1986 Annual Research Report
  • [Publications] 塚田捷: 数理科学. (1987)

    • Related Report
      1986 Annual Research Report
  • [Publications] 斉藤理一郎: 月刊フィジクス. 7. 178-184 (1986)

    • Related Report
      1986 Annual Research Report
  • [Publications] 常行真司: 日本物理学会誌. 41. 435-439 (1986)

    • Related Report
      1986 Annual Research Report
  • [Publications] H.Kamimura: "Crystalline Semiconducting Meterials and Devices,chap.8"Impurity Band"" Plenum Publishing Corporation (new York), 50 (1986)

    • Related Report
      1986 Annual Research Report

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Published: 1987-03-31   Modified: 2016-04-21  

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