Molecular-Dynamics Simulations of Hydrogenated Amorphous Silicon Thin-Film Growth

1995 ◽  
Vol 408 ◽  
Author(s):  
T. Ohira ◽  
O. Ukai ◽  
M. Noda ◽  
Y. Takeuchi ◽  
M. Murata ◽  
...  

AbstractWe have performed molecular-dynamics (MD) simulations of hydrogenated amorphous silicon (a-Si:H) thin-film growth using realistic many-body semiclassical potentials developed to describe Si-H interactions. In our MD model, it was assumed that SiH3, SiH2 and the H radicals are main precursors for the thin-film growth. In MD simulations of a-Si:H thin-film growth by many significant precursor SiH3 radicals, we have evaluated average radical migration distances, defect ratios, hydrogen contents, and film growth rates as a function of different incident radical energies to know the effect of the radical energization on the properties. As a result of the comparison between the numerical and experimental results, it was observed that the agreement is fairly good, and that an increase of radical migration distance due to the radical energization is effective on a- Si:H thin-film growth with a low defect.

1994 ◽  
Vol 336 ◽  
Author(s):  
Tatsuya Ohira ◽  
Takaji Inamuro ◽  
Takeshi Adachi

ABSTRACTA Molecular dynamics method with a Many-body Tersoff-type interatomic potential has been being applied to analyses of hydrogenated Amorphous silicon (a-Si:H) thin-film growth processes. As a first step toward film growth simulations, Molecular dynamics simulations of SiH3 radical, which would be a significant precursor for the a-Si:H thin-film growth processes, and a-Si:H formation with a rapid quenching method have been performed by developing new Tersoff-type interatomic potential between Si and H in this study. Visualization of SiH3 radical dynamics by computer graphics has made it possible to observe the inversion and rotation of SiH3 radical, which had been predicted by infrared diode-laser spectroscopie measurement in other group. In addition, visualization of the a-Si:H sample has helped us to find that there are some microcavities in the sample and that there are two kinds of hydrogen in the sample, gathering closely together while lying scattered, which had been predicted in IR absorption experimental results.


1991 ◽  
Vol 69 (4) ◽  
pp. 2339-2345 ◽  
Author(s):  
J. Kanicki ◽  
F. R. Libsch ◽  
J. Griffith ◽  
R. Polastre

2016 ◽  
Vol 302 ◽  
pp. 31-38 ◽  
Author(s):  
Tiejun Meng ◽  
Kwo Young ◽  
David Beglau ◽  
Shuli Yan ◽  
Peng Zeng ◽  
...  

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