Molecular dynamics simulations of Cl2+ impacts onto a chlorinated silicon surface: Energies and angles of the reflected Cl2 and Cl fragments

1999 ◽  
Vol 17 (5) ◽  
pp. 2759-2770 ◽  
Author(s):  
B. A. Helmer ◽  
D. B. Graves
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Silicon Surface ◽  
Surface Energies ◽  
Dynamics Simulations

Site Balance Models in Plasma Processing: A Comparison to Molecular Dynamics Simulations

1995 ◽  
Vol 389 ◽  
Author(s):  
M.E. Barone ◽  
D.B. Graves
Keyword(s):  
Molecular Dynamics ◽  
Steady State ◽  
Molecular Dynamics Simulations ◽  
Phenomenological Models ◽  
Silicon Surface ◽  
Plasma Processing ◽  
Md Simulations ◽  
Balance Model ◽  
Dynamics Simulations ◽  
A Site

ABSTRACTMolecular dynamics (MD) simulations were conducted of Cl+ impact (at 10, 25 and 50 eV) of an initially bare silicon surface, leading to steady state coverage of Cl in a mixed chlorosilyl layer. Our main goal in this study was to compare the MD predictions to models of ion-assisted etching involving the concept of a site balance. For the case of 50 eV Cl+ etching silicon, the coverage vs. exposure results in the simulation could be reasonably well reproduced in a site balance model, but only if the correct parameters in the model were taken from the simulation. The results of the comparison suggest that MD simulations can be helpful in the development of physically sound phenomenological models of ion-assisted etching.

scholarly journals Pressure-induced amorphization in the nanoindentation of single crystalline silicon

RSC Advances ◽  
2017 ◽  
Vol 7 (3) ◽  
pp. 1357-1362 ◽  
Author(s):  
Jing Han ◽  
Song Xu ◽  
Jiapeng Sun ◽  
Liang Fang ◽  
Hua Zhu
Keyword(s):  
Molecular Dynamics ◽  
Phase Transformation ◽  
Mechanical Behavior ◽  
Molecular Dynamics Simulations ◽  
Silicon Surface ◽  
Large Scale ◽  
Crystalline Silicon ◽  
Single Crystalline Silicon ◽  
Single Crystalline ◽  
Dynamics Simulations

Large-scale molecular dynamics simulations of nanoindentation on a (100) oriented silicon surface were performed to investigate the mechanical behavior and phase transformation of single crystalline silicon.

scholarly journals Molecular Dynamics Simulations of Vacancy Generation and Migration near a Monocrystalline Silicon Surface during Energetic Cluster Ion Implantation

Coatings ◽  
2020 ◽  
Vol 10 (2) ◽  
pp. 146
Author(s):  
Guoying Liang ◽  
Haowen Zhong ◽  
Yinong Wang ◽  
Shijian Zhang ◽  
Mofei Xu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ion Implantation ◽  
Molecular Dynamics Simulations ◽  
Silicon Surface ◽  
Amorphous Structure ◽  
Monocrystalline Silicon ◽  
Vacancy Generation ◽  
Cluster Ion ◽  
And Migration ◽  
Dynamics Simulations

The process of ion implantation often involves vacancy generation and migration. The vacancy generation and migration near a monocrystalline silicon surface during three kinds of energetic Si35 cluster ion implantations were investigated by molecular dynamics simulations in the present work. The patterns of vacancy generation and migration, as well as the implantation-induced amorphous structure, were analyzed according to radial distribution function, Wigner–Seitz cell, and identify diamond structure analytical methods. A lot of vacancies rapidly generate and migrate in primary directions and form an amorphous structure in the first two picoseconds. The cluster with higher incident kinetic energy can induce the generation and migration of more vacancies and a deeper amorphous structure. Moreover, boundaries have a loading–unloading effect, where interstitial atoms load into the boundary, which then acts as a source, emitting interstitial atoms to the target and inducing the generation of vacancies again. These results provide more insight into doping silicon via ion implantation.

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