Effective algorithm for simulations of layer-by-layer growth during pulsed-laser deposition
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F20%3A10420441" target="_blank" >RIV/00216208:11320/20:10420441 - isvavai.cz</a>
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=rcgp79-X3g" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=rcgp79-X3g</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevE.102.063305" target="_blank" >10.1103/PhysRevE.102.063305</a>
Alternative languages
Result language
angličtina
Original language name
Effective algorithm for simulations of layer-by-layer growth during pulsed-laser deposition
Original language description
The atomistic simulation of materials growing in the layer-by-layer mode by the pulsed-laser deposition is a significant challenge mainly due to the short timescales in which the fastest processes on the surface occur together with long periods between pulses. We present a kinetic Monte Carlo algorithm which overcomes the scaling problem by approximation of fast diffusion and by neglecting complex chemical processes. The atomic diffusion is modeled as a two-dimensional gas of material units on each layer. The model is based on a few elementary processes-the condensation of units on the surface, their dissolution back to the gas, and interlayer transport, which can be influenced by the Ehrlich-Schwoebel barrier. With these simplifications, the computational time of the algorithm scales only linearly with the size of the substrate while describing physically relevant growth kinetics. We demonstrate that the simplified model is suitable for simulations of layered growth of thin films in the range from quasicontinuous deposition to low-frequency cases. The model is successfully implemented to provide an alternative explanation of the time evolution of layer coverages by interlayer transport after pulses of deposition experimentally observed during perovskite growth [G. Eres et al., Phys. Rev. B 84, 195467 (2011)].
Czech name
—
Czech description
—
Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10305 - Fluids and plasma physics (including surface physics)
Result continuities
Project
<a href="/en/project/GC19-10799J" target="_blank" >GC19-10799J: In-situ study of the growth kinetics of pulsed laser deposition of multiferroic complex oxides</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review E
ISSN
2470-0045
e-ISSN
—
Volume of the periodical
102
Issue of the periodical within the volume
6
Country of publishing house
US - UNITED STATES
Number of pages
8
Pages from-to
063305
UT code for WoS article
000600286900010
EID of the result in the Scopus database
2-s2.0-85098109834