Thin film growth behaviors on strained fcc(111) surface by kinetic Monte Carlo

Doi, Yoshiharu; Matsunaka, Daisuke; Shibutani, Yoji

doi:10.1088/1742-6596/191/1/012017

Cited by 2 publications

(2 citation statements)

References 13 publications

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“…Clear experimental evidence for this was given in [18]. Our previous KMC study showed that the island density is increased by tensile surface strain at low temperature [20]. However, there still remains an incomplete understanding of how influences of the surface strain on the elementary processes are reflected in the growth behavior.…”

Section: Introductionmentioning

confidence: 95%

Effects of tensile strain on Ag(111) epitaxial growth by kinetic Monte Carlo simulations

Matsunaka¹,

Shibutani²

2011

J. Phys.: Condens. Matter

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The effects of surface strain on epitaxial growth are studied using the kinetic Monte Carlo (KMC) method. The strain dependences of the activation energy barrier and the attempt frequency of each elementary process are evaluated by the embedded atom method interatomic potential. KMC simulations of homoepitaxial growth on a Ag(111) surface with equibiaxial tensile strain are carried out and influences of the surface strain on the nucleation of islands and the surface morphology are investigated. The island density increases due to reduction of the adatom diffusion on the terrace. The averaged coordination number of atoms constituting islands decreases and the island shape is more dendritic. The tensile surface strain leads to an increase in the surface roughness at an early stage of the growth, but at high coverage the roughness is adversely lower for the strained surface.

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Section: Introductionmentioning

confidence: 95%

Effects of tensile strain on Ag(111) epitaxial growth by kinetic Monte Carlo simulations

Matsunaka¹,

Shibutani²

2011

J. Phys.: Condens. Matter

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“…The idea of crystal growth in the 19th century was centred around the understanding of crystals as unit cells [27] and much of the work on crystal growth in the 20th century has been largely based on the growth on crystal surfaces with both stable and unstable growth scenarios [29,30,31,32,33,24,34]. This has now advanced to a state to be understood from a unique viewpoint, the atomistic process of crystal growth.…”

Section: The Concept Of Crystal Growthmentioning

confidence: 99%

Kinetic Monte Carlo (KMC) Algorithm for Nanocrystals

Paea¹

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<p>This thesis uses the kinetic Monte Carlo (KMC) algorithm to examine the growth morphology and structure of nanocrystals. Crystal growth in a supersaturated gas of atoms and in an undercooled binary melt is investigated. First, in the gas phase, the interplay of the deposition and surface diffusion rates is studied. Then, the KMC algorithm is refined by including solidification events and finally, by adding diffusion in the surrounding liquid. A new algorithm is developed for modelling solidification from an undercooled melt. This algorithm combines the KMC method, which models the change in shape of the crystal during growth, with a macroscopic continuum method that tracks the diffusion of material through solution towards the crystal. For small length and time scales, this approach provides simple, effective front tracking with fully resolved atomistic detail of the crystal-melt interface. Anisotropy is included in the model as a surface diffusion process and the growth rate of the crystal is found to increase monotonically with increase in the surface anisotropy value. The method allows for the study of multiple crystal nuclei and Ostwald ripening. This method will aid researchers to explain why certain crystal shapes form under particular conditions during growth, and may enable nanotechnologists to design techniques for growing nanocrystals with specific shapes for a variety of applications, from catalysis to the medicine field and electronics industry. This will lead to a better understanding of the atomistic process of crystal growth at the nanoscale.</p>

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Thin film growth behaviors on strained fcc(111) surface by kinetic Monte Carlo

Cited by 2 publications

References 13 publications

Effects of tensile strain on Ag(111) epitaxial growth by kinetic Monte Carlo simulations

Effects of tensile strain on Ag(111) epitaxial growth by kinetic Monte Carlo simulations

Kinetic Monte Carlo (KMC) Algorithm for Nanocrystals

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