Growth of diamond films on a diamond {001}(2×1):H surface by time dependent Monte Carlo simulations

1996 ◽  
Vol 104 (15) ◽  
pp. 5997-6008 ◽  
Author(s):  
E. J. Dawnkaski ◽  
D. Srivastava ◽  
B. J. Garrison
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Diamond Films ◽  
Time Dependent

Kinetic Monte Carlo Simulation of Diamond Film Growth with the Inclusion of Surface Migration

1998 ◽  
Vol 527 ◽  
Author(s):  
Armando Netto ◽  
Michael Frenklach
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Film Growth ◽  
Kinetic Monte Carlo ◽  
Diamond Films ◽  
State Theory ◽  
Diamond Surface ◽  
Diamond Growth ◽  
Gaseous Species ◽  
Surface Migration

ABSTRACTDiamond films are of interest in many practical applications but the technology of producing high-quality, low-cost diamond is still lacking. To reach this goal, it is necessary to understand the mechanism underlying diamond deposition. Most reaction models advanced thus far do not consider surface diffusion, but recent theoretical results, founded on quantum-mechanical calculations and localized kinetic analysis, highlight the critical role that surface migration may play in growth of diamond films. In this paper we report a three-dimensional time-dependent Monte Carlo simulations of diamond growth which consider adsorption, desorption, lattice incorporation, and surface migration. The reaction mechanism includes seven gas-surface, four surface migration, and two surface-only reaction steps. The reaction probabilities are founded on the results of quantum-chemical and transition-state-theory calculations. The kinetic Monte Carlo simulations show that, starting with an ideal {100}-(2×1) reconstructed diamond surface, the model is able to produce a continuous film growth. The smoothness of the growing film and the developing morphology are shown to be influenced by rate parameter values and by deposition conditions such as temperature and gaseous species concentrations.

Monte Carlo Simulations of Defect Relaxation in Amorphous Silicon

1995 ◽  
Vol 377 ◽  
Author(s):  
Thomas Unold ◽  
Howard M. Branz
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Amorphous Silicon ◽  
Time Dependent ◽  
Memory Model ◽  
Filling Time ◽  
Defect Filling ◽  
Defect Relaxation ◽  
Structural Memory

ABSTRACTThe structural memory model of slow defect relaxation in a-Si:H is extended to the limit of long defect filling times. The model was proposed in order to explain unusual, defect filling-time dependent capacitance transients that were observed for short defect filling times. For long defect filling pulses however, the experiments show normal charge emission transients that saturate into filling-time independent transients. We present two possibilities for explaining the approach to saturation within the structural memory model. Results of Monte Carlo simulations of the models are discussed.

scholarly journals A modular method to handle multiple time-dependent quantities in Monte Carlo simulations

2012 ◽  
Vol 57 (11) ◽  
pp. 3295-3308 ◽  
Author(s):  
J Shin ◽  
J Perl ◽  
J Schümann ◽  
H Paganetti ◽  
B A Faddegon
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Time Dependent ◽  
Multiple Time ◽  
Modular Method
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