MD simulations of ion beam induced epitaxial crystallization at a-Si/c-Si interfaces: interface structure and elementary processes of crystallization

1999 ◽  
Vol 148 (1-4) ◽  
pp. 375-380 ◽  
Author(s):  
B Weber ◽  
D.M Stock ◽  
K Gärtner
Keyword(s):  
Ion Beam ◽  
Md Simulations ◽  
Interface Structure ◽  
Elementary Processes ◽  
Epitaxial Crystallization

Molecular Dynamics Study Of Si/Si3N4 Interface

1996 ◽  
Vol 446 ◽  
Author(s):  
Martina E. Bachlechner ◽  
Ingvar Ebbsjö ◽  
Rajiv K. Kalia ◽  
Priya Vashishta
Keyword(s):  
Molecular Dynamics ◽  
Electronic Structure ◽  
Charge Transfer ◽  
Md Simulations ◽  
Electronic Structure Calculations ◽  
Interface Structure ◽  
Bond Bending ◽  
Three Body ◽  
Structure Calculations ◽  
Weber Potential

AbstractStructural correlations at the Si(111)/Si3N4(0001) interface are studied using the molecular dynamics (MD) method. In the bulk, Si is described by the Stillinger-Weber potential and Si3N4 by an interaction potential which contains two-body (steric, Coulomb, electronic polarizabilities) and three-body (bond bending and stretching) terms. At the interface, the charge transfer from silicon to nitrogen is taken from LCAO electronic structure calculations. Using these Si, Si3N4 and interface interactions in MD simulations, the interface structure (atomic positions, bond lengths, and bond angles) is determined. Results for fracture in silicon are also presented.

Study of ion beam induced epitaxial crystallization of SrTiO3

2000 ◽  
Vol 87 (7) ◽  
pp. 3450-3456 ◽  
Author(s):  
K. Oyoshi ◽  
S. Hishita ◽  
H. Haneda
Keyword(s):  
Ion Beam ◽  
Epitaxial Crystallization

Ion beam induced epitaxial crystallization of NiSi2

1990 ◽  
Vol 56 (21) ◽  
pp. 2117-2119 ◽  
Author(s):  
M. C. Ridgway ◽  
R. G. Elliman ◽  
J. S. Williams
Keyword(s):  
Ion Beam ◽  
Epitaxial Crystallization

Atomistic Mechanism of Ion Beam Deposition Induced Curvature Formation in Thin-Films

2007 ◽  
Author(s):  
Sachin S. Terdalkar ◽  
Sulin Zhang ◽  
Joseph J. Rencis
Keyword(s):  
Kinetic Energy ◽  
Incident Energy ◽  
Ion Beam ◽  
Md Simulations ◽  
Stress Generation ◽  
Intrinsic Stress ◽  
Graphene Sheets ◽  
High Incident Energy ◽  
Upward Deflection ◽  
Generation Mechanisms

Molecular dynamics (MD) simulations are performed to study the stress generation mechanisms in cantilever graphene sheets impacted by energetic carbon neutrals. The carbon-carbon interactions are described by the Tersoff-Brenner potential [1]. The MD simulations show that the free-end deflection of the graphene sheets is strongly dependent on the kinetic energy of the incident ions. At low incident energy (<<10eV), the free end bends towards to the side on which ions are deposited (upward deflection); at high incident energy, the free end bends away from the side on which the ions are deposited (downward deflection). The downward deflection reaches its maximum at around 50 eV, beyond which the downward deflection decreases with increasing incident energies. In addition, the evolution of the free-end deflection in terms of the number of deposited atoms is also dependent on the kinetic energy of the incident ions. These numerical observations suggest that intrinsic stress of different levels in the graphene sheets is generated. A close examination of the microstructures of the grown films indicates that the generated stress can be attributed to a competing mechanism of the production and annihilation of vacancy-like and interstitial-like defects in the films.

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