Effect of Hydrogen Coverage on Silicon Thin Film Growth: Molecular Dynamics Investigation

1999 ◽  
Vol 584 ◽  
Author(s):  
Shinya Muramatsu ◽  
Masatoshi Shimada ◽  
Masahiko Hirao
Keyword(s):  
Molecular Dynamics ◽  
Film Growth ◽  
Surface Reactions ◽  
Thin Film Growth ◽  
Silicon Thin Film ◽  
Reaction Conditions ◽  
Silicon Thin Films ◽  
Modified Surfaces ◽  
Elementary Surface ◽  
Dynamics Simulations

AbstractSilicon thin films grown by CVD processes take various structures depending on the reaction conditions. In the case of low-temperature CVD, hydrogen coverage on the silicon substrate affects the growth as well. In order to analyze the effect of hydrogen coverage on elementary surface reactions, we performed molecular dynamics simulations in which gasphase radicals, H and SiH3, fell onto a hydrogen-terminated silicon surface. We prepared monohydride and dihydride Si(100) surfaces and modified their hydrogen coverage in a certain area in the range from 0.5 to 2.0 monolayers so as to describe the growing surface. As a result of our simulation, H radicals mainly caused H adsorption and H abstraction reactions and altered the hydrogen coverage of the surface. While reactions of SiH3 radicals with monohydride or dihydride surfaces rarely occurred, these radicals reacted more frequently with the modified surfaces. These results indicate that the change in the local hydrogen coverage caused by H radicals may induce subsequent surface reactions

Thin Film Growth as a Result of Cluster-Surface Collisions: Computational Simulations

1996 ◽  
Vol 441 ◽  
Author(s):  
L. Qi ◽  
S. B. Sinnott
Keyword(s):  
Thin Film ◽  
Molecular Dynamics ◽  
Film Growth ◽  
Molecular Clusters ◽  
Polymer Chains ◽  
Thin Film Growth ◽  
Many Body ◽  
Computational Simulations ◽  
Empirical Potential ◽  
Dynamics Simulations

AbstractMolecular dynamics simulations have been performed to investigate the chemical and structural processes which occur when molecular clusters of acetylene impact a non-rigid, hydrogenterminated diamond (111) surface at incident hyperthermal kinetic energies. The atoms are characterized by a realistic many-body empirical potential for hydrocarbon systems. The goal is to study the initial stages of thin film growth following impact. Important processes observed during the simulations include polymerization of the cluster molecules, and adsorption (tethering) of some polymer chains to the surface in the initial stages of thin film growth. Further simulations will be necessary to fully determine the characteristics of the film.

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 ◽  
...  
Keyword(s):  
Thin Film ◽  
Molecular Dynamics ◽  
Amorphous Silicon ◽  
Film Growth ◽  
Hydrogenated Amorphous Silicon ◽  
Md Simulations ◽  
Thin Film Growth ◽  
Silicon Thin Film ◽  
Radical Migration ◽  
Hydrogenated Amorphous

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.

Effect of polyatomic ion structure on thin-film growth: Experiments and molecular dynamics simulations

2000 ◽  
Vol 88 (9) ◽  
pp. 5004-5016 ◽  
Author(s):  
Muthu B. J. Wijesundara ◽  
Yuan Ji ◽  
Boris Ni ◽  
Susan B. Sinnott ◽  
Luke Hanley
Keyword(s):  
Thin Film ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Film Growth ◽  
Thin Film Growth ◽  
Ion Structure ◽  
Dynamics Simulations ◽  
Growth Experiments

Thin film growth by energetic cluster impact (ECI): comparison between experiment and molecular dynamics simulations

1993 ◽  
Vol 19 (1-2) ◽  
pp. 31-36 ◽  
Author(s):  
Hellmut Haberland ◽  
Zinetulla Insepov ◽  
Martin Karrais ◽  
Martin Mall ◽  
Michael Moseler ◽  
...  
Keyword(s):  
Thin Film ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Film Growth ◽  
Thin Film Growth ◽  
Dynamics Simulations

The Structure of Silicon Thin Films Grown on Sapphire by MBE

1987 ◽  
Vol 107 ◽  
Author(s):  
M. E. Twigg ◽  
J. G. Pellegrino ◽  
E. D. Richmond
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Vapor Deposition ◽  
Molecular Beam ◽  
Film Growth ◽  
Chemical Vapor ◽  
Thin Film Growth ◽  
Silicon Thin Film ◽  
Silicon Thin Films ◽  
Transmission Electron

AbstractFrom a series of imaging experiments performed in the transmission electron microscope (TEM), it is apparent that for silicon grown on sapphire (SOS) by molecular beam epitaxy (MBE), silicon thin film growth on the (1012) sapphire plane resembles that observed for analogous films grown by chemical vapor deposition (CVD). At 900°C very thin (150A) silicon films grow as islands with either the (001) or (110) planes parallel to the (1012) plane; it is also found that most of the silicon grows as (001) rather than (110) islands, as is true for CVD-grown SOS. The orientation, however, of (110) islands occuring in this MBE-grown SOS sample differs from that of (110) islands occuring in CVD-grown SOS. By following this initial 150A of growth with 2500A of silicon deposited at. 750°C, a continuous (001) film was grown in which microtwins appear to be the predominant defect. The MBE-grown SOS also resembles that grown by CVD in that the microtwin densities associated with the “majority” and “minority” twinning systems are influenced by the orientation of the sapphire substrate.

Sign in / Sign up

Export Citation Format

Share Document