Simplified Monte Carlo simulations of point defects during industrial silicon crystal growth

verfasst von: A. Muiznieks, I. Madzulis, K. Dadzis, K. Lacis, Th Wetzel
Abstract: The paper proposes Monte-Carlo method-based 2D and 3D models of vacancies and interstitials in a cubic crystal. The model exploits the concept of lattice gas with covalent bounds between neighbour nodes. Two lattices shifted by half-period serve as nodes for atoms of the main crystal and interstitials. Distribution of particles between both lattices characterizes the entropy of the crystal. Successfully chosen interaction energies between main and sub-lattices allows the authors to detect a phase transition solid-liquid as well as to study the production of crystal defects/their agglomeration as a function of cooling/heating rate. Although the introduced 3D modification of the model contains several rough assumptions, this gives all results of the 2D case as well as reflects some 3D specificities. All the results obtained agree qualitatively with experimental observations on crystals.
Organisationseinheit(en): Institut für Elektroprozesstechnik
Externe Organisation(en): University of Latvia
Siltronic AG
Typ: Konferenzaufsatz in Fachzeitschrift
Journal: Journal of crystal growth
Band: 266
Seiten: 117-125
Anzahl der Seiten: 9
ISSN: 0022-0248
Publikationsdatum: 15.05.2004
Publikationsstatus: Veröffentlicht
Peer-reviewed: Ja
ASJC Scopus Sachgebiete: Physik der kondensierten Materie, Anorganische Chemie, Werkstoffchemie
Elektronische Version(en): https://doi.org/10.1016/j.jcrysgro.2004.02.037 (Zugang: Geschlossen)

BibTeX

@article{07ff918e1a874471ad3321dff8e4cba2,
title = "Simplified Monte Carlo simulations of point defects during industrial silicon crystal growth",
abstract = "The paper proposes Monte-Carlo method-based 2D and 3D models of vacancies and interstitials in a cubic crystal. The model exploits the concept of lattice gas with covalent bounds between neighbour nodes. Two lattices shifted by half-period serve as nodes for atoms of the main crystal and interstitials. Distribution of particles between both lattices characterizes the entropy of the crystal. Successfully chosen interaction energies between main and sub-lattices allows the authors to detect a phase transition solid-liquid as well as to study the production of crystal defects/their agglomeration as a function of cooling/heating rate. Although the introduced 3D modification of the model contains several rough assumptions, this gives all results of the 2D case as well as reflects some 3D specificities. All the results obtained agree qualitatively with experimental observations on crystals.",
keywords = "A1. Computer simulation, A1. Defects, A1. Point defects, A2. Single crystal growth, B1. Silicon",
author = "A. Muiznieks and I. Madzulis and K. Dadzis and K. Lacis and Th Wetzel",
note = "Copyright: Copyright 2008 Elsevier B.V., All rights reserved.; Fourth International Workshop on Modeling ; Conference date: 04-11-2003 Through 07-11-2003",
year = "2004",
month = may,
day = "15",
doi = "10.1016/j.jcrysgro.2004.02.037",
language = "English",
volume = "266",
pages = "117--125",
journal = "Journal of crystal growth",
issn = "0022-0248",
publisher = "Elsevier",
number = "1-3",
}