2011
DOI: 10.1063/1.3580771
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Modeling of {311} facets using a lattice kinetic Monte Carlo three-dimensional model for selective epitaxial growth of silicon

Abstract: Using lattice kinetic Monte Carlo, we provide a quantitative physically based atomistic model for the selective grown of Si-based materials, and explain {311} facet formation while remaining computationally efficient. Descriptions of the local atomistic configurations critical for the developing of {100}, {110}, {111}, and {311} facets are given. The model also introduces (a) three different microscopic growth rates for local {100} planes, needed to properly simulate the formation of perfect {100} terraces in … Show more

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Cited by 18 publications
(8 citation statements)
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“…It differs from the model presented in the previous section by that four, instead of three, local configurations of Si atoms incorporation, namely {100 l }, {100 h }, {110}, and {111} are considered. The definition of two configurations for {100} helps to better control the amorphous/crystalline interface, and takes into account the number of second neighbors to distinguish between low {100 l } and high {100 h } coordinations [11]. In addition, unlike setting the normal or defective tags to the crystallized Si atoms, the model takes into account the actual geometry of twin formation during filling new lattice atoms.…”
Section: Epitaxy On Si(111) Substratesmentioning
confidence: 99%
See 1 more Smart Citation
“…It differs from the model presented in the previous section by that four, instead of three, local configurations of Si atoms incorporation, namely {100 l }, {100 h }, {110}, and {111} are considered. The definition of two configurations for {100} helps to better control the amorphous/crystalline interface, and takes into account the number of second neighbors to distinguish between low {100 l } and high {100 h } coordinations [11]. In addition, unlike setting the normal or defective tags to the crystallized Si atoms, the model takes into account the actual geometry of twin formation during filling new lattice atoms.…”
Section: Epitaxy On Si(111) Substratesmentioning
confidence: 99%
“…Small size structures favor the application of the modeling methods that enable to obtain the evolution at atomic level, such as ab initio [7], molecular dynamics (MD) simulations [8,9], and lattice kinetic Monte Carlo (LKMC) modeling [10,11]. As compared to the ab initio and MD simulations, LKMC methods have a higher scaling potential with preservation of reasonable computation efficiency so that the systems of different sizes can be modeled at low cost.…”
Section: Introductionmentioning
confidence: 99%
“…As it has been observed in previous works [4,9], it is important to consider a difference in those prefactors depending on the neighbor coordination number encountered at the time of bonding into the lattice. This is modeled by introducing a lower rate in the {100} microscopic configurations when less first neighbors are found (6 and 7 in this simulation) making the bond less probable.…”
mentioning
confidence: 97%
“…To overcome the limitations of non-lattice KMC models in a computationally efficient code, Martin-Bragado et al developed a lattice KMC model that reproduces different planar SPER velocities and the formation of defects during regrowth [94,[111][112][113]. Stress information can be extracted from finite-element methods [111] and fed back and forth to the lattice KMC code.…”
Section: Atomistic Kmc Modelsmentioning
confidence: 99%