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Theoretical Study of Electron Correlation Effects on Dynamical Phenomena at Surfaces

Research Project

Project/Area Number 07650034
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field 表面界面物性
Research InstitutionWAKAYAMA NATIONAL COLLEGE OF TECHNOLOGY (1997)
Osaka University (1995-1996)

Principal Investigator

OKIJI Ayao  Wakayama National College of Technology, President, 校長 (20029002)

Co-Investigator(Kenkyū-buntansha) KASAI Hideaki  Osaka University, Associate Professor, 大学院・工学研究科, 助教授 (00177354)
Project Period (FY) 1995 – 1997
Project Status Completed (Fiscal Year 1997)
Budget Amount *help
¥2,500,000 (Direct Cost: ¥2,500,000)
Fiscal Year 1997: ¥600,000 (Direct Cost: ¥600,000)
Fiscal Year 1996: ¥700,000 (Direct Cost: ¥700,000)
Fiscal Year 1995: ¥1,200,000 (Direct Cost: ¥1,200,000)
Keywordsphoto-induced desorption / ultrafast electron dynamics / associative desorption / orientation alignment / cartwheel-type rotation / dynamical quantum filter / helicopter-type rotation / spectroscopy in time domain / 超短レーザー光パレス / ヘリプタ型回転 / 解離散乱 / 水素分子 / 分子配向効果 / 非断熱効果 / イオン散乱 / フェルミ面効果 / 解離吸着 / 回転励起 / 舵取り効果 / エネルギー移動
Research Abstract

In order to clarify the mechanism behind dynamical processes at solid surfaces such as dissociative adsorption and associative desorption of hydrogen, photo-stimulated desorption of adsorbed molecules, quantum transport phenomena, and transient response of surface electron system to ultrashort laser pulses, it is necessary to have an aocurate knowledge of potential energy surfaces, excited as well as the ground states of electron system, and the enterrelation between electronic transitions and state-changes of molecular motion. With this in mind, theoretical studies on dynamical processes at solid surfaces have been done. The obtained results are summarized as follows.
1. Making stress on the spatial as well as temporal locality of electronic excitations, we have investigated trajectories of molecules in photo-stimulated desorption. On the basis of the obtained results, dependences of the desorption probability on energy, time duration, and penetration depth of laser pulses are clarifie … More d.
2. As a dynamical quantum filter, the orientation dependent activation barrier can select rotational states of molecules which attempt to pass through the barrier and to desorb. On the way toward the vacuum from the barrier (transition region), molecules are rotationally excited, de-excited, or retain rotational states at the transition region. It is found that molecules rotationally de-excited as well as those retaining rotational states at the transition region do helicopter-like rotational motion, and that molecules rotationally excited do cartwheel-like rotational motion.
3. An expression of time-resolved two-photon photoemission spectrum is derived from a microscopic point of view. On the basis of the obtained results, it is clarified how the information about the lifetime of intermediate states at surfaces can be obtained by the cross correlation trace. Furthermore, the effects of inter-band excitations on the cross correlation trace are clarified.
4. The electron correlation effects on electron transport phenomena in an atom-sized contact between an STM-tip and a metal surface are investigated with the aid of the Hubbard Hamiltonian. It is shown that intra-and inter-subband scattering of traveling electrons are induced by Coulomb interacion at finite-temperatures and that the step wise variation of the conductance as a function of the stretching distance of the STM-tip is considerably affected. Less

Report

(4 results)
  • 1997 Annual Research Report   Final Research Report Summary
  • 1996 Annual Research Report
  • 1995 Annual Research Report
  • Research Products

    (48 results)

All Other

All Publications (48 results)

  • [Publications] W.A.Dino: "Effects of Rotational State Excitations on the Dissociative Adsorption Dynamics of D_2/2Cu(111)" J.Phys.Soc.Jpn.64. 2478-2487 (1995)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] H.Kasai: "Effects Electronic Excitations on Translational Energy Distribution of Ions Scattered by Metal Surfaces" J.Phys.Soc.Jpn.64. 4308-4316 (1995)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] W.A.Dino: "Combined Effect of Molecular Rotational-and Surface Vibrational-Excitations on the Dissociative Adsorption Dynamics of D_2/Cu(111)" Surf.Sci.363. 52-61 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] H.Kasai: "A Microscopic Theory of Desorption Induced by Electronic Transitions" Surf.Sci.368. 214-222 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] H.Tsuchiura: "Effects of Electronic Excitations on Potential Energy Surfaces:Simple Model Calcultions" Surf.Sci.363. 274-280 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] A.Okiji: "The Effects of the Electronic Excitation on the Behaviour of Particles Scattered by Metal Surfaces" Springer Series in Solid-State Sciences. 121. 138-146 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] H.Kasai: "On the Molecular Orientation Dependence of Dynamical Processes on Solid Surfaces:Dissociative Adsorption and Scattering" Springer Series in Solid-State Sciences. 121. 99-111 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] W.A.Dino: "Role of rotational motion in the dissociative adsorption and associative desorption dynamics of D_2/Cu(111)" Phys.Rev.Lett.78. 286-289 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] H.Tsuchiura: "A Model Calculation for Photo-Stimulated Desorption" J.Phys.Soc.Jpn.66. 2805-2810 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] W.A.Dino: "Rotational Effects in the Dissociative Adsorption Dynamics of Hydrogen on a Pd Surface" J.Phys.Soc.Jpn.66. 3344-3347 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] H.Kasai: "Dissociation and Association-Dynamical Behavior of Hydrogen Molecules Dissociatively Adsorbing on and/or Associatively Desorbing from Metal Surfaces" Butsuri(in japanese). 52. 824-830 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] M.Sakaue: "Transient Population of Phtoexcited Electrons in a Localized state at a Metal Surface" J.Phys.Soc.Jpn.66. 3718-3721 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] A.Okiji: "Proceedings of International Workshop on the Current Problems in Condensed Matter.Theory and Experiments" Plenum Press, (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] W.A.Dino: "Effects of Rotational State Excitations on the Dissociative Adsorption Dynamics" J.Phys.Soc.Jpn. 64. 2478-2487 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] H.Kasai: "Effects of Electronic Excitations on Translational Energy Distribution of Ions Scattered by Metal Surfaces" J.Phys.Soc.Jpn. 64. 4308-4316 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] W.A.Dino: "Combined Effect of Molecular Rotational-and Surface Vibrational-Excitations on the Dissociative Adsorption Dynamics of D_2/Cu(111)" Surf.Sci. 363. 52-61 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] H.Kasai: "A Microscopic Theory of Desorption Induced Electronic Transitions" Surf.Sci. 363. 214-222 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] H.Tsuchiura: "Effects of Electronic Excitations on Potential Energy Surfaces : Simple Model Calculations" Surf.Sci. 363. 274-280 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] A.Okiji: "The Effects of the Electronic Excitation on the Behavior of Particles Scattered by Metal Surfaces" Springer Series in Solid-State Sciences. 121. 138-146 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] H.Kasai: "On the Molecular Orientation Dependence of Dynamical Processes on Solid Surfaces : Dissociative Adsorption and Scattering" Springer Series in Solid-State Sciences. 121. 99-111 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] W.A.Dino: "Role of rotational motion in the dissociative adsorption and associative desorption dynamics of D_2/Cu(111)" Phys.Rev.Lett. 78. 286-289 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] H.Tsuchiura: "A Model Calculation for Photo-Stimulated Desorption" J.Phys.Soc.Jpn. 66. 2805-2810 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] W.A.Dino: "Rotational Effects the Dissociative Adsorption Dynamics of Hydrogen on a Pd Surface" J.Phys.Soc.Jpn. 66. 3344-3347 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] H.Kasai: "Dissociation and Association-Dynamical Behavior of Hydrogen Molecules Dissociatively Adsorbing on and/or Associatively Desorbing from Metal Surfaces (in japanese)" Butsuri. 52. 824-830 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] M.Sakaue: "Transient Population of Phtoexcited Electrons in a Localized State at a Metal Surface" J.Phys.Soc.Jpn. 66. 3718-3721 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] A.Okiji: "Molecular Orientation Dependence of Dynamical Processes on Metal Surfaces : Dissociative Adsorption and Scattering, and Associative Desorption Proceedings of International Workshop on the Current Problems in Condensed Matter : Theory and Experiments" Plenum Press. (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] W.A.Dino: "Effects of Rotational State Excitations on the Dissociative Adsorption Dynamics of D_2/Cu(111)" J.Phys.Soc.Jpn.64. 2478-2487 (1995)

    • Related Report
      1997 Annual Research Report
  • [Publications] H.Kasai: "Effects of Electronic Excitations on Translational Energy Distribution of lons Scattered by Metal Surfaces" J.Phys.Soc.Jpn.64. 4308-4316 (1995)

    • Related Report
      1997 Annual Research Report
  • [Publications] W.A.Dino: "Combined Effect of Molecular Rotational-and Surface Vibrational-Excitations on the Dissociative Adsorption Dynamics of D_2/Cu(111)" Surf.Sci.363. 52-61 (1996)

    • Related Report
      1997 Annual Research Report
  • [Publications] H.Kasai: "A Microscopic Theory of Desorption Induced by Electronic Transitions" Surf.Sci.368. 214-222 (1996)

    • Related Report
      1997 Annual Research Report
  • [Publications] H.Tsuchiura: "Effects of Electronic Excitations on Potential Energy Surfaces: Simple Model Calculations" Surf.Sci.363. 274-280 (1996)

    • Related Report
      1997 Annual Research Report
  • [Publications] A.Okiji: "The Effects of the Electronic Excitation on the Behaviour of Particles Scattered by Metal Surfaces" Springer Series in Solid State Sciences. 121. 138-146 (1996)

    • Related Report
      1997 Annual Research Report
  • [Publications] H.Kasai: "On the Molecular Orientation Dependcnce of Dynamical Processes on Solid Surfaces: Dissociative Adsorption and Scattering" Springer Series in Solid-State Sciences. 121. 99-111 (1996)

    • Related Report
      1997 Annual Research Report
  • [Publications] W.A.Dino: "Role of rotational motion in the dissociative adsorption and associative desorption dynamics of D_2/Cu(111)" Phys.Rev.Lett.78. 286-289 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] H.Tsuchiura: "A Model Calculation for Photo-Stimulated Desorption" J.Phys.Soc.Jpn.66. 2805-2810 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] W.A.Dino: "Rotational Effects in the Dissociative Adsorption Dynamics of Hydrogen on a Pd Surface" J.Phys.Soc.Jpn.66. 3344-3347 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] H.Kasai: "Dissociation and Association-Dynamical Behavior of Hydrogen Molecules Dissociatively Adsorbing on and/or Associatively Desorbing from Metal Surfaces" Butsuri(in japanese). 52. 824-830 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] M.Sakaue: "Transient Population of Phtoexcited Electrons in a Localized state at a Metal Surface" J.Phys.Soc.Jpn.66. 3718-3721 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] A.Okiji: "Peoceedings of International Workshop on the Current Problems in Condensed Matter.Theory and Experiments" Plenum Press, (1998)

    • Related Report
      1997 Annual Research Report
  • [Publications] W.A.Dino: "Combined Effect of Molecular Rotational- and Surface Vibrational-Excitations on the Dissociative Adsorption Dynamics of D_2/Cu(111)." Surface Science. 363. 52-61 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] H.Kasai: "A Microscopic Theory of Desorption Induced by Electronic Transitions" Surface Science. 363. 214-222 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] H.Tsuchiura: "Effects of Electronic Excitations on Potential Energy Surfaces : Simple Model Calculations" Surface Science. 363. 274-280 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] H.Nakanishi: "Inelastic Scattering from the Translational Vibration Mode on Molecules Adsorbed on Solid Surfaces" Surface Science. 363. 391-396 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] H.Kasai: "Conductance Quantization in an Atom-Sized Contact between an STM-tip and a Metal Surface" Surface Science. 363. 428-433 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] A.Okiji: "Proceedings of the International Symposium on Dynamical Quanturm Processes on Solid Surfaces" North-Holland (Surface Science 363), 456 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] A.Okiji: "Elementary Processes in Excitations and Reactions on Solid Surfaces" Springer Verlag (Springer Series in Solid-State Sciences 121), 243 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] W.A.Dino: "Effects of Rotational State Excitations on the Dissociative Adsorption Dynamics of D_2/Cu(111)" J.Phys.Soc.Jpn.64. 3120-3121 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] H.Kasai: "Effects of Electronic Excitations on Translational Energy Distribution of Ions Scattered by Metal Surfaces" J.Phys.Soc.Jpn.64. 4308-4316 (1995)

    • Related Report
      1995 Annual Research Report

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Published: 1995-04-01   Modified: 2016-04-21  

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