A computational study of SrTiO3 thin film deposition: Morphology and growth modes

被引：0
作者：
Wohlwend J.L. [1 ]
Boswell C.N. [1 ]
Phillpot S.R. [1 ]
Sinnott S.B. [2 ]
机构：
[1] Department of Materials Science and Engineering, University of Florida, Gainesville
[2] University of California-Berkeley, Berkeley
来源：
Journal of Materials Research | 2009年 / 24卷 / 6期
基金：
美国国家科学基金会;
关键词：
D O I：
10.1557/jmr.2009.0229
中图分类号：
学科分类号：
摘要：
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. © 2009 Materials Research Society.
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页码：1994 / 2000
页数：6
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