Photoinduced Conversion of Hybridization in Graphite

• Authors: L. Radosinski , T. Luty , K. Nasu , H. Ohnishi , K. Nishioka , A. Radosz , D. Wójt
• Languages of publication: 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

81.30.Hd; 61.66.-f

Discipline

• 81.30.Hd: Constant-composition solid-solid phase transformations: polymorphic, massive, and order-disorder
• 61.66.-f: Structure of specific crystalline solids(for surface structure, see 68.35.B-)

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2012
• Volume: 121
• Issue: 2
• Pages: 359-368

Dates

published

2012-02

Contributors

author

L. Radosinski

• Institute of Theoretical and Chemical Physics, Wrocław University of Technology, Wybrzeże Wyspiańskiego 27,50-370 Wrocław, Poland

author

T. Luty

• Institute of Theoretical and Chemical Physics, Wrocław University of Technology, Wybrzeże Wyspiańskiego 27,50-370 Wrocław, Poland

author

K. Nasu

• High Energy Accelerator Research Organization (KEK), 1-1 Oho, 030-0805 Tsukuba, Japan

author

H. Ohnishi

• High Energy Accelerator Research Organization (KEK), 1-1 Oho, 030-0805 Tsukuba, Japan

author

K. Nishioka

• Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Okazaki Aichi, 444-8585, Japan

author

A. Radosz

• Institute of Physics, Wrocław University of Technology, Wybrzeże Wyspiańskiego 27,50-370 Wrocław, Poland

author

D. Wójt

• Institute of Physics, Wrocław University of Technology, Wybrzeże Wyspiańskiego 27,50-370 Wrocław, Poland

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Identifiers

DOI

10.12693/APhysPolA.121.359