scholarly journals Molecular dynamics simulations of pulsed laser crystallization of amorphous silicon ultrathin films

2010 ◽  
Vol 59 (8) ◽  
pp. 5681
Author(s):  
Chen Gu-Ran ◽  
Song Chao ◽  
Xu Jun ◽  
Wang Dan-Qing ◽  
Xu Ling ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Amorphous Silicon ◽  
Ultrathin Films ◽  
Pulsed Laser ◽  
Laser Crystallization ◽  
Dynamics Simulations

scholarly journals Free energy molecular dynamics simulations of pulsed-laser-irradiated SiO2: Si–Si bond formation in a matrix of SiO2

2005 ◽  
Vol 86 (20) ◽  
pp. 201910 ◽  
Author(s):  
Mauro Boero ◽  
Atsushi Oshiyama ◽  
Pier Luigi Silvestrelli ◽  
Kouichi Murakami
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Molecular Dynamics Simulations ◽  
Bond Formation ◽  
Pulsed Laser ◽  
Dynamics Simulations

Tight-binding molecular-dynamics simulations of amorphous silicon carbides

2002 ◽  
Vol 66 (19) ◽  
Author(s):  
V. I. Ivashchenko ◽  
P. E. A. Turchi ◽  
V. I. Shevchenko ◽  
L. A. Ivashchenko ◽  
G. V. Rusakov
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Amorphous Silicon ◽  
Tight Binding ◽  
Silicon Carbides ◽  
Dynamics Simulations

Molecular Dynamics Simulations of the Structural, Vibrational and Electronic Properties of Amorphous Silicon

1990 ◽  
Vol 192 ◽  
Author(s):  
R. Biswas ◽  
I. Kwon ◽  
C. M. Soukoulis
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Amorphous Silicon ◽  
Electronic Properties ◽  
Film Deposition ◽  
Dangling Bond ◽  
Melt Quenching ◽  
Dynamics Simulations ◽  
Si Films ◽  
Gap States

ABSTRACTAmorphous silicon models have been computer-generated by melt-quenching and film deposition molecular dynamics simulations, employing classical interatomic Si-potentials. The structural, vibrational and electronic properties of these models is described. Dangling-bond gap states are well localized whereas, floating bonds gap states are considerably less localized with wavefunction amplitudes on the neighbors of the five-coordinated atom. In contrast to melt-quenched models, the a-Si films displayed voids, a 15–28% lower density than c-Si, and no five- coordinated atoms. A-Si:H models with 5 and 22% hydrogen, and both monohydride and dihydride species, have also been developed.

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