Molecular dynamics simulations of SrTiO3 thin-film growth from cluster deposition

Jennifer L. Wohlwend, Simon R. Phillpot, Susan B. Sinnott

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

We use classical molecular dynamics simulations to examine the deposition of SrTiO3 stoichiometric clusters on (001) SrTiO3. The simulations consider the deposition of clusters that consist of one, two, three or four stoichiometric units that have incident energies of 1.0 eV/atom. Two types of beam compositions are considered: those that are comprised of mono-sized clusters and those that are comprised of mixed-sized clusters along with individual SrO and TiO2 particles. The results are analyzed to determine the effect of surface termination layer (SrO versus TiO2), cluster size and beam composition on the resulting thin-film structure. The simulations indicate that termination layer and beam composition have an impact on the resulting film structure with mixed-beam composition and TiO2 termination yielding films with a structure similar to that of bulk STO.

Original languageEnglish (US)
Article number045001
JournalJournal of Physics Condensed Matter
Volume22
Issue number4
DOIs
StatePublished - Jan 1 2010

Fingerprint

Film growth
Molecular dynamics
molecular dynamics
Thin films
Computer simulation
thin films
Chemical analysis
simulation
Atoms
strontium titanium oxide
atoms
energy

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics

Cite this

@article{406bc0c2cefa4a829c3b8b29ae1e0196,
title = "Molecular dynamics simulations of SrTiO3 thin-film growth from cluster deposition",
abstract = "We use classical molecular dynamics simulations to examine the deposition of SrTiO3 stoichiometric clusters on (001) SrTiO3. The simulations consider the deposition of clusters that consist of one, two, three or four stoichiometric units that have incident energies of 1.0 eV/atom. Two types of beam compositions are considered: those that are comprised of mono-sized clusters and those that are comprised of mixed-sized clusters along with individual SrO and TiO2 particles. The results are analyzed to determine the effect of surface termination layer (SrO versus TiO2), cluster size and beam composition on the resulting thin-film structure. The simulations indicate that termination layer and beam composition have an impact on the resulting film structure with mixed-beam composition and TiO2 termination yielding films with a structure similar to that of bulk STO.",
author = "Wohlwend, {Jennifer L.} and Phillpot, {Simon R.} and Sinnott, {Susan B.}",
year = "2010",
month = "1",
day = "1",
doi = "10.1088/0953-8984/22/4/045001",
language = "English (US)",
volume = "22",
journal = "Journal of Physics Condensed Matter",
issn = "0953-8984",
publisher = "IOP Publishing Ltd.",
number = "4",

}

Molecular dynamics simulations of SrTiO3 thin-film growth from cluster deposition. / Wohlwend, Jennifer L.; Phillpot, Simon R.; Sinnott, Susan B.

In: Journal of Physics Condensed Matter, Vol. 22, No. 4, 045001, 01.01.2010.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Molecular dynamics simulations of SrTiO3 thin-film growth from cluster deposition

AU - Wohlwend, Jennifer L.

AU - Phillpot, Simon R.

AU - Sinnott, Susan B.

PY - 2010/1/1

Y1 - 2010/1/1

N2 - We use classical molecular dynamics simulations to examine the deposition of SrTiO3 stoichiometric clusters on (001) SrTiO3. The simulations consider the deposition of clusters that consist of one, two, three or four stoichiometric units that have incident energies of 1.0 eV/atom. Two types of beam compositions are considered: those that are comprised of mono-sized clusters and those that are comprised of mixed-sized clusters along with individual SrO and TiO2 particles. The results are analyzed to determine the effect of surface termination layer (SrO versus TiO2), cluster size and beam composition on the resulting thin-film structure. The simulations indicate that termination layer and beam composition have an impact on the resulting film structure with mixed-beam composition and TiO2 termination yielding films with a structure similar to that of bulk STO.

AB - We use classical molecular dynamics simulations to examine the deposition of SrTiO3 stoichiometric clusters on (001) SrTiO3. The simulations consider the deposition of clusters that consist of one, two, three or four stoichiometric units that have incident energies of 1.0 eV/atom. Two types of beam compositions are considered: those that are comprised of mono-sized clusters and those that are comprised of mixed-sized clusters along with individual SrO and TiO2 particles. The results are analyzed to determine the effect of surface termination layer (SrO versus TiO2), cluster size and beam composition on the resulting thin-film structure. The simulations indicate that termination layer and beam composition have an impact on the resulting film structure with mixed-beam composition and TiO2 termination yielding films with a structure similar to that of bulk STO.

UR - http://www.scopus.com/inward/record.url?scp=74949102335&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=74949102335&partnerID=8YFLogxK

U2 - 10.1088/0953-8984/22/4/045001

DO - 10.1088/0953-8984/22/4/045001

M3 - Article

C2 - 21386303

AN - SCOPUS:74949102335

VL - 22

JO - Journal of Physics Condensed Matter

JF - Journal of Physics Condensed Matter

SN - 0953-8984

IS - 4

M1 - 045001

ER -