First-principles time-dependent simulation of laser assisted desorption of hydrogen atoms from H-Si(111) surface

Sergiy Bubin, Kálmán Varga

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

The dynamics of hydrogen desorption from H-terminated silicon surface clusters has been simulated in the framework of real space time-dependent density functional theory complemented with molecular dynamics for ions. It has been demonstrated that by choosing an appropriate frequency and intensity of the laser it is possible to remove the hydrogen layer from the surface without destroying the structure of underlying silicon. At the laser field intensities used in the current study (0.5-2.0 V/Å) the desorption process is notably nonlinear.

Original languageEnglish
Article number154101
JournalApplied Physics Letters
Volume98
Issue number15
DOIs
Publication statusPublished - Apr 11 2011
Externally publishedYes

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hydrogen atoms
desorption
silicon
hydrogen
lasers
simulation
molecular dynamics
density functional theory
ions

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

Cite this

First-principles time-dependent simulation of laser assisted desorption of hydrogen atoms from H-Si(111) surface. / Bubin, Sergiy; Varga, Kálmán.

In: Applied Physics Letters, Vol. 98, No. 15, 154101, 11.04.2011.

Research output: Contribution to journalArticle

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