Details
| Original language | English |
|---|---|
| Pages (from-to) | 117-125 |
| Number of pages | 9 |
| Journal | Journal of crystal growth |
| Volume | 266 |
| Issue number | 1-3 |
| Early online date | 28 Mar 2004 |
| Publication status | Published - 15 May 2004 |
| Event | Fourth International Workshop on Modeling - Kyushu, Japan Duration: 4 Nov 2003 → 7 Nov 2003 |
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
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Condensed Matter Physics
- Chemistry(all)
- Inorganic Chemistry
- Materials Science(all)
- Materials Chemistry
Cite this
- Standard
- Harvard
- Apa
- Vancouver
- BibTeX
- RIS
In: Journal of crystal growth, Vol. 266, No. 1-3, 15.05.2004, p. 117-125.
Research output: Contribution to journal › Conference article › Research › peer review
}
TY - JOUR
T1 - Simplified Monte Carlo simulations of point defects during industrial silicon crystal growth
AU - Muiznieks, A.
AU - Madzulis, I.
AU - Dadzis, K.
AU - Lacis, K.
AU - Wetzel, Th
N1 - Copyright: Copyright 2008 Elsevier B.V., All rights reserved.
PY - 2004/5/15
Y1 - 2004/5/15
N2 - 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.
AB - 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.
KW - A1. Computer simulation
KW - A1. Defects
KW - A1. Point defects
KW - A2. Single crystal growth
KW - B1. Silicon
UR - http://www.scopus.com/inward/record.url?scp=2342640947&partnerID=8YFLogxK
U2 - 10.1016/j.jcrysgro.2004.02.037
DO - 10.1016/j.jcrysgro.2004.02.037
M3 - Conference article
AN - SCOPUS:2342640947
VL - 266
SP - 117
EP - 125
JO - Journal of crystal growth
JF - Journal of crystal growth
SN - 0022-0248
IS - 1-3
T2 - Fourth International Workshop on Modeling
Y2 - 4 November 2003 through 7 November 2003
ER -