TY - JOUR
T1 - A computational study of SrTiO3 thin film deposition
T2 - Morphology and growth modes
AU - Wohlwend, Jennifer L.
AU - Boswell, Cosima N.
AU - Phillpot, Simon R.
AU - Sinnott, Susan B.
N1 - Funding Information:
The authors thank the National Science Foundation for funding under Grant No. DMR-0426870. They also acknowledge the University of Florida High-Performance Computing Center for providing computational resources and support that have contributed partially to the research results reported within this paper.
PY - 2009/6
Y1 - 2009/6
N2 - The growth of SrTiO3 (STO) thin films is examined using classical molecular dynamics simulations. First, a beam of alternating SrO and TiO2 molecules is deposited on the (001) surface of STO with incident kinetic energies of 0.1, 0.5, or 1.0 eV/atom. Second, deposition of alternating SrO and TiO2 monolayers, where both have incident energies of 1.0 eV/atom, is examined. The resulting thin film morphologies predicted by the simulations are compared to available experimental data. The simulations indicate the way in which the incident energy, surface termination, and beam composition influence the morphology of the thin films. On the whole, some layer-by-layer growth is predicted to occur on both SrO- and TiO 2-terminated STO for both types of deposition processes, with the alternating monolayer approach yielding thin films with structures that are much closer to that of bulk STO.
AB - The growth of SrTiO3 (STO) thin films is examined using classical molecular dynamics simulations. First, a beam of alternating SrO and TiO2 molecules is deposited on the (001) surface of STO with incident kinetic energies of 0.1, 0.5, or 1.0 eV/atom. Second, deposition of alternating SrO and TiO2 monolayers, where both have incident energies of 1.0 eV/atom, is examined. The resulting thin film morphologies predicted by the simulations are compared to available experimental data. The simulations indicate the way in which the incident energy, surface termination, and beam composition influence the morphology of the thin films. On the whole, some layer-by-layer growth is predicted to occur on both SrO- and TiO 2-terminated STO for both types of deposition processes, with the alternating monolayer approach yielding thin films with structures that are much closer to that of bulk STO.
UR - http://www.scopus.com/inward/record.url?scp=68149110245&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=68149110245&partnerID=8YFLogxK
U2 - 10.1557/jmr.2009.0229
DO - 10.1557/jmr.2009.0229
M3 - Article
AN - SCOPUS:68149110245
SN - 0884-2914
VL - 24
SP - 1994
EP - 2000
JO - Journal of Materials Research
JF - Journal of Materials Research
IS - 6
ER -