• Search Research Projects
  • Search Researchers
  • How to Use
  1. Back to project page

1996 Fiscal Year Final Research Report Summary

Theoretical Study of Novel Structures of Materials by Electronic Excitation and Unified Model

Research Project

Project/Area Number 07304067
Research Category

Grant-in-Aid for Scientific Research (A)

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

Principal Investigator

SHINOZUKA Yuzo  Yamaguchi University Fuculty of Engeneering Professor, 工学部, 教授 (30144918)

Co-Investigator(Kenkyū-buntansha) KATAYAMA Hiroshi (YOSHIDA Hiroshi)  Osaka University Inst.of Scientific Industrial Research Professor, 産業科学研究所, 教授 (30133929)
KAYANUMA Yosuke  Osaka Prefectural University Engineering Professor, 工学部, 教授 (80124569)
NAKAYAMA Takashi  Chiba University Science Assistant Professor, 理学部, 助教授 (70189075)
SUMI Hitoshi  Tsukuba University Materials Science Professor, 物質工学系, 教授 (10134206)
OSHIYAMA Atsushi  Tsukuba University Physics Professor, 物理学系, 教授 (80143361)
Project Period (FY) 1995 – 1996
Keywordselectronic excitation / defect reaction / metastable structure / non-equilibrium material / structural change / relaxation dynamics / first-principle calculation / impurity defect
Research Abstract

1) A variety of possible configurations of metastable structures has been calculated and proposed for s-p bonding materials, especially on nano-size cluster systems, surfaces, point defects and amorphous states. The relations among them and also between that of bulk system are clarified. The co-doping method is proposed for p- or n-type valence control of wide gap semiconductors.
2) Theories for optical processes are developed for semiconductor hetero interfaces and surfaces, and for one-dimensional and mesoscopic organic materials.
3) A general theory is proposed for the transition of electronic-atomic systems both describing the static limit (tunnel process) and the dynamical limit (level crossing). The mechanisms are proposed for the desorptin of an adatom on a semiconductor surface and also for the atom manipulation by a tip of STM.
4) Nonmetallic crystalline materials are classified into five types, F,SI,SII,SIII,and U,according to the character of a relaxd photo-created exciton, the degree of the lattice relaxation and the way of exciton annihilation.
In order to understand completely the structural change by electronic excitation in condensed matter, it is necessary to know (a) the character of the ground state (atomic configuration and electronic state), (b) the way of excitation (by photon or high energy particle ; valence excitation or core excitation) and the character of the electronic excited state, (c) the relaxation path in space and time and (d) the character of the relaxd excited state. The investigation of each mechanism and their unification enable us to understand deeply the bondings of condensed matter and have a guiding principle to fabricate novel structures of materials.

  • Research Products

    (28 results)

All Other

All Publications (28 results)

  • [Publications] Y.Shinozuka: "Symmetry-Breaking Electronic-Atomic Processes in s-p Bonding Materials" Proc.19th Taniguchi Symposium,ed K.Nasu (Springer,1997). 229-236 (1996)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Y.Okamoto: "First-principles Calculations on Mg Impurity and Mg-H Complex in GaN" Jpn.J.Appl.Phys.35. L807-L809 (1996)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] H.Sumi: "Electron Transfer via a Midway Molecule as Seen in Primary Processes in Photosynthesis ; Superexchange or Sequential,or Unified ?" Adriatico Research Conference on Electron and Ion Transfer in Condensed Media. (1996)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] S.Abe: "Optical and Dynamical Properties of One-Dimensional Excitons in Conjugated Polymers" Materials and Measurements in Molecular Electronics (Springer Proceedings in Physics). 81. 85-95 (1996)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] T.Uda: "Electronic and Optical Properties of Hydrogenated Silicon clusters" Surface Reviews and Letters. 3. 127- (1996)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] T.Nakayama: "Electronic and Optical Properties of Alkali Halides KBr/Rb Cl Superlattices" J.Phys.Soc.Jpn.65. 2188-2193 (1996)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] J.Yamauchi: "First-Prinsiples Study on Energetics of C BN (001) Reconstructed" Surfaces.Phys.Rev.B54. 5586-5603 (1996)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] H.Aizawa: "First-Priniciples investigation of photo-induced desorption of CO and NO from Pt (111)" Surf.Sci.363. 223-228 (1996)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] R.Saito: "Tunneling conductance of connected carbon nanotubes" Phys.Rev.B53. 2044-2050 (1996)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] S.Saito: "Electronic Structure of Si20 Fullerene and Solid Si20" Surf.Rev.Lett.3. 721-728 (1996)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Y.Toyozawa: "The Instabilities of Excitons in Deformable Lattice and the Photo-Induced Phase Transition" Proc.19th Taniguchi Symposium,ed K.Nasu (Springer,1997). 17-24 (1996)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] K.Matsunaga: "Electronic States and Chemical Bondings of an Interstitial Cation in Ionic Compounds with Rock-Salt Structure" J.Phys.Soc.Jpn.65. 3582- (1996)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] S.Tanaka: "Lattice Relaxation and Resonant X-Ray Emission of C 1s Core Exciton in Diamond" Solid State Commun. 100. 77-81 (1996)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] H.Katayama-Yoshida: "Physics and Control of Atomic Displacements of Defects in Semiconductors Induced by Electronic Excitation [Invited Paper]" Modelling and Simulation for Materials Design (Edited by S.Nishijima and H.Onodera). (1996)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Y.Shinozuka: "Symmetry-Breaking Electronic-Atomic Processes in s-p Bonding Materials." Proc.19th Taniguchi Symposium, ed K.Nasu (Springer, 1997). 229-236 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Y.Okamoto: "Fist-principles Calculations on Mg Impurity and Mg-H Complex in GaN." Jpn.J.Appl.Phys.Vol.35. L807-L809 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] H.Sumi: "Electron Transfer via a Midway Molecule as Seen in Primary Processes in Photosynthesis ; Superexchange or Sequential, or Unified? ." Adriatico Research Conference on Electron and Ion Transfer in Condensed Media. (1996)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] S.Abe: "Optical and Dynamical Properties of One-Dimensional Excitons in Conjugated Polymers." Materials and Measurements in Molecular Electronics (Springer Proceedings in Physics). Vol.81. 85-95 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] T.Uda: "Electronic and Optical Properties of Hydrogenated Silicon Clusters." Surface Reviews and Letters. Vol.3. 127 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] T.Nakayama: "Electronic and Optical Properties of Alkali Halides KBr/RbCl Superlattices." J.Phys.Soc.Jpn.Vol.65. 2188-2193 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] J.Yamauchi: "First-Prinsiples Study on Energetics of C BN (001) Reconstructed." Surfaces.Phys.Rev.B54. 5586-5603 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] H.Aizawa: "First-principles investigation of photo-induced desorption of CO and NO from Pt (111)." Surf.Sci.Vol.363. 223-228 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] R.Saito: "Tunneling conductance of connected carbon nanotubes." Phys.Rev.B53. 2044-2050 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] S.Saito: "Electronic Structure of Si20 Fullerene and Solid Si20" Surf.Rev.Lett.Vol.3. 721-728 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Y.Toyozawa: "The Instabilities of Excitons in Deformable Lattice and the Photo-Induced Phase Transition." Proc.19th Taniguchi Symposium, ed K.Nasu (Springer, 1997). 17-24 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] K.Matsunaga: "Electronic States and Chemical Bondings of an Interstitial Cation in Ionic Compounds with Rock-Salt Structure." J.Phys.Soc.Jpn.Vol.65. 3582 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] S.Tanaka: "Lattice Relaxation and Resonant X-Ray Emission of C 1s Core Exciton in Diamond." Solid State Commun. Vol.100. 77-81 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] H.Katayama-Yoshida: "Physics and Control of Atomic Displacements of Defects in Semiconductors Induced by Electronic Excitation." Modelling and Simulation for Materials Design (Edited by S.Nishijima and H.Onodera). (1996)

    • Description
      「研究成果報告書概要(欧文)」より

URL: 

Published: 1999-03-09   Modified: 2021-10-08  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi