Open AccessMolecular dynamics study of interaction between the H atoms and Si surface
Author(s) -
Ke Chuan,
Zhao Cheng-Li,
Fujun Gou,
Zhao Yong
Publication year - 2013
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.62.165203
Subject(s) - materials science , amorphous silicon , silicon , amorphous solid , adsorption , surface roughness , molecular dynamics , etching (microfabrication) , surface (topology) , surface finish , yield (engineering) , atomic physics , chemical physics , crystalline silicon , chemistry , nanotechnology , crystallography , computational chemistry , layer (electronics) , optoelectronics , composite material , physics , geometry , mathematics
In this paper, molecular dynamics simulation is used to study the interactions between H atoms and the crystalline Si surface when H atoms bombard the Si surface in different incident energies. The results show that the adsorption rate of H atoms first increases and then reaches an equilibrium value with the increase of incident energy, which is consistent with the experimental results. The results also reveal that the H atoms are deposited on the Si surface, forming hydrogenated amorphous silicon film. The etching products (H2, SiH2, SiH3 and SiH4) influence the adsorption rate of H atoms, and determine the surface roughness of the hydrogenated amorphous silicon film. The surface roughness reaches a minimal value when the incident energy is 1 eV. However, both the yield and the distribution of the composition (SiH, SiH2, SiH3) in the hydrogenated amorphous silicon film change with the increase of incident energy.