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Volume 3, Issue 4
A Simple Kinetic Monte Carlo Approach for Epitaxial Submonolayer Growth

Robert Deák, Zoltán Néda & Péter B. Barna

Commun. Comput. Phys., 3 (2008), pp. 822-833.

Published online: 2008-03

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  • Abstract

Two-component submonolayer growth on triangular lattice is qualitatively studied by kinetic Monte Carlo techniques. The hopping barrier governing surface diffusion of the atoms is estimated using pair interaction potentials. Several degrees of freedoms enhancing the surface diffusion of atoms are also introduced. The main advantages of the presented technique are the reduced number of free parameters and the clear diffusion activated mechanism for the segregation of different types of atoms. The potential of this method is exemplified by reproducing (i) phase-boundary creation and dynamics related to vacancies and stacking faults; (ii) a special co-deposition and segregation process where the segregated atoms of the second component surround the islands formed by the first type of atoms.

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@Article{CiCP-3-822, author = {Robert Deák, Zoltán Néda and Péter B. Barna}, title = {A Simple Kinetic Monte Carlo Approach for Epitaxial Submonolayer Growth}, journal = {Communications in Computational Physics}, year = {2008}, volume = {3}, number = {4}, pages = {822--833}, abstract = {

Two-component submonolayer growth on triangular lattice is qualitatively studied by kinetic Monte Carlo techniques. The hopping barrier governing surface diffusion of the atoms is estimated using pair interaction potentials. Several degrees of freedoms enhancing the surface diffusion of atoms are also introduced. The main advantages of the presented technique are the reduced number of free parameters and the clear diffusion activated mechanism for the segregation of different types of atoms. The potential of this method is exemplified by reproducing (i) phase-boundary creation and dynamics related to vacancies and stacking faults; (ii) a special co-deposition and segregation process where the segregated atoms of the second component surround the islands formed by the first type of atoms.

}, issn = {1991-7120}, doi = {https://doi.org/}, url = {http://global-sci.org/intro/article_detail/cicp/7876.html} }
TY - JOUR T1 - A Simple Kinetic Monte Carlo Approach for Epitaxial Submonolayer Growth AU - Robert Deák, Zoltán Néda & Péter B. Barna JO - Communications in Computational Physics VL - 4 SP - 822 EP - 833 PY - 2008 DA - 2008/03 SN - 3 DO - http://doi.org/ UR - https://global-sci.org/intro/article_detail/cicp/7876.html KW - AB -

Two-component submonolayer growth on triangular lattice is qualitatively studied by kinetic Monte Carlo techniques. The hopping barrier governing surface diffusion of the atoms is estimated using pair interaction potentials. Several degrees of freedoms enhancing the surface diffusion of atoms are also introduced. The main advantages of the presented technique are the reduced number of free parameters and the clear diffusion activated mechanism for the segregation of different types of atoms. The potential of this method is exemplified by reproducing (i) phase-boundary creation and dynamics related to vacancies and stacking faults; (ii) a special co-deposition and segregation process where the segregated atoms of the second component surround the islands formed by the first type of atoms.

Robert Deák, Zoltán Néda and Péter B. Barna. (2008). A Simple Kinetic Monte Carlo Approach for Epitaxial Submonolayer Growth. Communications in Computational Physics. 3 (4). 822-833. doi:
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