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 language | English |
|---|---|
| Article number | 154101 |
| Journal | Applied Physics Letters |
| Volume | 98 |
| Issue number | 15 |
| DOIs | |
| Publication status | Published - Apr 11 2011 |
| Externally published | Yes |
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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 journal › Article
}
TY - JOUR
T1 - First-principles time-dependent simulation of laser assisted desorption of hydrogen atoms from H-Si(111) surface
AU - Bubin, Sergiy
AU - Varga, Kálmán
PY - 2011/4/11
Y1 - 2011/4/11
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=79954586420&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=79954586420&partnerID=8YFLogxK
U2 - 10.1063/1.3580563
DO - 10.1063/1.3580563
M3 - Article
VL - 98
JO - Applied Physics Letters
JF - Applied Physics Letters
SN - 0003-6951
IS - 15
M1 - 154101
ER -