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2012 | 121 | 2 | 359-368
Article title

Photoinduced Conversion of Hybridization in Graphite

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EN
Abstracts
EN
Recent experiments indicate that a photostimulated graphite with a femtosecond laser pulse results in the formation of a stable domain with sp^3 like interlayer bonds. By means of the energy barrier minimization and molecular dynamics using the empirical Brenner potential we study a geometrical structure of the new phase. We clarify proliferation of the initial domain and prove that the overall process is a multiphoton one. Furthermore, we present a model describing the initial transformation - an interlayer charge transfer resulting in the localization of an exciton-like state. The local density approximation electronic structure analysis reveals that the electronic state of the new phase is an insulator immersed in semimetal. We study by means of the long-range carbon bond order potential the effect of the existence of the new phase on the surrounding graphite and propose a new mid step structure on the path of a photoinduced graphite-diamond conversion.
Keywords
EN
Contributors
author
  • Institute of Theoretical and Chemical Physics, Wrocław University of Technology, Wybrzeże Wyspiańskiego 27,50-370 Wrocław, Poland
author
  • Institute of Theoretical and Chemical Physics, Wrocław University of Technology, Wybrzeże Wyspiańskiego 27,50-370 Wrocław, Poland
author
  • High Energy Accelerator Research Organization (KEK), 1-1 Oho, 030-0805 Tsukuba, Japan
author
  • High Energy Accelerator Research Organization (KEK), 1-1 Oho, 030-0805 Tsukuba, Japan
author
  • Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Okazaki Aichi, 444-8585, Japan
author
  • Institute of Physics, Wrocław University of Technology, Wybrzeże Wyspiańskiego 27,50-370 Wrocław, Poland
author
  • Institute of Physics, Wrocław University of Technology, Wybrzeże Wyspiańskiego 27,50-370 Wrocław, Poland
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv121n216kz
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