Electron-ion dynamics in laser-assisted desorption of hydrogen atoms from H-Si(111) surface

Sergiy Bubin, Klmn Varga

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

In the framework of real time real space time-dependent density functional theory we have studied the electron-ion dynamics of a hydrogen-terminated silicon surface H-Si(111) subjected to intense laser irradiation. Two surface fragments of different sizes have been used in the simulations. When the intensity and duration of the laser exceed certain levels (which depend on the wavelength) we observe the desorption of the hydrogen atoms, while the underlying silicon layer remains essentially undamaged. Upon further increase of the laser intensity, the chemical bonds between silicon atoms break as well. The results of the simulations suggest that with an appropriate choice of laser parameters it should be possible to remove the hydrogen layer from the H-Si(111) surface in a matter of a few tens of femtoseconds. We have also observed that at high laser field intensities (2-4ÅV in this work) the desorption occurs even when the laser frequency is smaller than the optical gap of the silicon surface fragments. Therefore, nonlinear phenomena must play an essential role in such desorption processes.

Original languageEnglish
Article number064905
JournalJournal of Applied Physics
Volume110
Issue number6
DOIs
Publication statusPublished - Sep 15 2011
Externally publishedYes

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hydrogen atoms
desorption
lasers
ions
electrons
silicon
fragments
hydrogen
chemical bonds
simulation
density functional theory
irradiation
wavelengths
atoms

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Electron-ion dynamics in laser-assisted desorption of hydrogen atoms from H-Si(111) surface. / Bubin, Sergiy; Varga, Klmn.

In: Journal of Applied Physics, Vol. 110, No. 6, 064905, 15.09.2011.

Research output: Contribution to journalArticle

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