Monte Carlo Simulation of Epitaxial Growth
Monte Carlo Simulation of Epitaxial Growth

Author: Celso I. Fornari

Publisher:

Published: 2018

Total Pages:

ISBN-13:

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A numerical Monte Carlo (MC) model is described in detail to simulate epitaxial growth. This model allows the formation of structural defects, like substitutional defects and vacancies, and desorption of adsorbed atoms on the surface. The latter feature supports the study of epitaxial growth at very high kinetic regime. The model proposed here is applied to simulate the homoepitaxial growth of Si. The results obtained fit well to the experimental reports on (0 0 1) silicon homoepitaxy. The easy implementation of a large number of microscopic processes and the three-dimensional spatial information during the film growth suggests that the model can be applied to simulate the growth of binary, ternary, or more compounds and even the growth of superlattices and heterostructures.

A Kinetic Monte Carlo Simulation of Submonolayer Crystal Growth
A Kinetic Monte Carlo Simulation of Submonolayer Crystal Growth

Author: Pushpa Raj Pudasaini

Publisher: LAP Lambert Academic Publishing

Published: 2011-08-01

Total Pages: 100

ISBN-13: 9783845417271

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The physics of surface and interface is an increasingly important area in the field of condensed matter physics. This book provides a comprehensive introduction to the kinetic Monte Carlo simulation for the submonolayer crystal growth phenomenon. The growth from vapor is studied under the condition meet in molecular beam epitaxy (MBE). It describes the basic physical processes, such as atomic process during growth, formulation of growth models, and surface diffusion and nucleation theory. It covers the effect of small-cluster mobility and adatom detachment on the island formation during the submonolayer epitaxial growth of the thin films deposition under the various conditions. This book may be useful for the undergraduates, graduate students and researchers in the field of surface and interface physics.

Multiscale Modeling in Epitaxial Growth
Multiscale Modeling in Epitaxial Growth

Author: Axel Voigt

Publisher: Springer Science & Business Media

Published: 2006-03-30

Total Pages: 240

ISBN-13: 3764373431

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Epitaxy is relevant for thin film growth and is a very active area of theoretical research since several years. Recently powerful numerical techniques have been used to link atomistic effects at the film's surface to its macroscopic morphology. This book also serves as an introduction into this highly active interdisciplinary field of research for applied mathematicians, theoretical physicists and computational materials scientists.

Kinetic Monte Carlo Simulations of Submonolayer and Multilayer Epitaxial Growth Over Extended Time- and Length-scales
Kinetic Monte Carlo Simulations of Submonolayer and Multilayer Epitaxial Growth Over Extended Time- and Length-scales

Author: Giridhar Nandipati

Publisher:

Published: 2009

Total Pages: 282

ISBN-13:

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The main objective of the work presented in this thesis is to develop new methods to extend the time and length scales of atomistic kinetic Monte Carlo (KMC) simulations. When all the relevant processes and their activation barriers are known, KMC is an extremely efficient method to carry out atomistic simulations for longer time scales. However, in some cases (ex. low barrier repetitive events) direct KMC simulations may not be sufficient to reach the experimentally relevant length and time scales. Accordingly, we have tested and developed several different parallel KMC algorithms and also developed a dynamic boundary allocation (DBA) method to improve parallel efficiency by reducing number of boundary events. Results for parallel KMC simulations of Ag(111) island coarsening at room temperature carried out using a large database of processes obtained from previous self-learning KMC simulations are also presented. We find that at long times the coarsening behavior corresponds to Ostwald ripening. We also find that the inclusion of concerted small-cluster events has a significant impact on the average island size. In addition, we have also developed a first passage time (FPT) approach to KMC simulations to accelerate KMC simulation of (100) multilayer epitaxial growth with rapid edge diffusion. In our FPT approach, by mapping edge-diffusion to a 1D random walk, numerous diffusive hops are replaced with first-passage time to make one large jump to a new location. As a test, we have applied our method to carry out multilayer growth simulations of three different models. We note that despite the additional overhead, the FPT approach leads to a significant speed-up compared to regular KMC simulations. Finally, we present results obtained from KMC simulations of irreversible submonolayer island growth with strain and rapid island relaxation. Our results indicate that in the presence of large strain there is significant anisotropy in qualitative agreement with experiments on InAs/GaAs and Ge/Si growth. Somewhat surprisingly, we also find that the scaled island-size distribution depends only weakly on the effects of strain. This is in qualitative agreement with recent experimental results for InAs/GaAs(100) submonolayer growth.

Morphological Organization In Epitaxial Growth And Removal
Morphological Organization In Epitaxial Growth And Removal

Author: Max G Lagally

Publisher: World Scientific

Published: 1999-01-29

Total Pages: 508

ISBN-13: 9814496162

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This book provides a critical assessment of the current status and the likely future directions of thin-film growth, an area of exceptional technological importance. Its emphasis is on descriptions of the atomic-scale mechanisms controlling the dynamics and thermodynamics of the morphological evolution of the growth front of thin films in diverse systems of fundamental and technological significance. The book covers most of the original and important conceptual developments made in the 1990s. The articles, written by leading experts, are arranged in five major categories — the theoretical basis, semiconductor-on-semiconductor growth, metal-on-metal growth, metal-on-semiconductor growth, and removal as the inverse process of growth. This book, the only one of its kind in this decade, will prove to be an indispensable reference source for active researchers, those having peripheral interest, and graduate students starting out in the field.