Volume 10, Issue 5
Simulation of Three-Dimensional Strained Heteroepitaxial Growth Using Kinetic Monte Carlo

Tim P. Schulze & Peter Smereka

Commun. Comput. Phys., 10 (2011), pp. 1089-1112.

Published online: 2011-10

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  • Abstract

Efficient algorithms for the simulation of strained heteroepitaxial growth with intermixing in 2+1 dimensions are presented. The first of these algorithms is an extension of the energy localization method [T. P. Schulze and P. Smereka, An energy localization principle and its application to fast kinetic Monte Carlo simulation of heteroepitaxial growth, J. Mech. Phys. Sol., 3 (2009), 521–538] from 1+1 to 2+1 dimensions. Two approximations of this basic algorithm are then introduced, one of which treats adatoms in a more efficient manner, while the other makes use of an approximation of the change in elastic energy in terms of local elastic energy density. In both cases, it is demonstrated that a reasonable level of fidelity is achieved. Results are presented showing how the film morphology is affected by misfit and deposition rate. In addition, simulations of stacked quantum dots are also presented.

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@Article{CiCP-10-1089, author = {}, title = {Simulation of Three-Dimensional Strained Heteroepitaxial Growth Using Kinetic Monte Carlo}, journal = {Communications in Computational Physics}, year = {2011}, volume = {10}, number = {5}, pages = {1089--1112}, abstract = {

Efficient algorithms for the simulation of strained heteroepitaxial growth with intermixing in 2+1 dimensions are presented. The first of these algorithms is an extension of the energy localization method [T. P. Schulze and P. Smereka, An energy localization principle and its application to fast kinetic Monte Carlo simulation of heteroepitaxial growth, J. Mech. Phys. Sol., 3 (2009), 521–538] from 1+1 to 2+1 dimensions. Two approximations of this basic algorithm are then introduced, one of which treats adatoms in a more efficient manner, while the other makes use of an approximation of the change in elastic energy in terms of local elastic energy density. In both cases, it is demonstrated that a reasonable level of fidelity is achieved. Results are presented showing how the film morphology is affected by misfit and deposition rate. In addition, simulations of stacked quantum dots are also presented.

}, issn = {1991-7120}, doi = {https://doi.org/10.4208/cicp.101210.241210a}, url = {http://global-sci.org/intro/article_detail/cicp/7476.html} }
TY - JOUR T1 - Simulation of Three-Dimensional Strained Heteroepitaxial Growth Using Kinetic Monte Carlo JO - Communications in Computational Physics VL - 5 SP - 1089 EP - 1112 PY - 2011 DA - 2011/10 SN - 10 DO - http://doi.org/10.4208/cicp.101210.241210a UR - https://global-sci.org/intro/article_detail/cicp/7476.html KW - AB -

Efficient algorithms for the simulation of strained heteroepitaxial growth with intermixing in 2+1 dimensions are presented. The first of these algorithms is an extension of the energy localization method [T. P. Schulze and P. Smereka, An energy localization principle and its application to fast kinetic Monte Carlo simulation of heteroepitaxial growth, J. Mech. Phys. Sol., 3 (2009), 521–538] from 1+1 to 2+1 dimensions. Two approximations of this basic algorithm are then introduced, one of which treats adatoms in a more efficient manner, while the other makes use of an approximation of the change in elastic energy in terms of local elastic energy density. In both cases, it is demonstrated that a reasonable level of fidelity is achieved. Results are presented showing how the film morphology is affected by misfit and deposition rate. In addition, simulations of stacked quantum dots are also presented.

Tim P. Schulze & Peter Smereka. (2020). Simulation of Three-Dimensional Strained Heteroepitaxial Growth Using Kinetic Monte Carlo. Communications in Computational Physics. 10 (5). 1089-1112. doi:10.4208/cicp.101210.241210a
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