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

  • Jennifer L. Wohlwend, Cosima N. Boswell (a1), Simon R. Phillpot and Susan B. Sinnott (a1)


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 TiO2-terminated STO for both types of deposition processes, with the alternating monolayer approach yielding thin films with compositions that are much closer to that of bulk STO.


Corresponding author

a) Current address: University of California Berkeley, Berkeley, California 94720.
b) Address all correspondence to this author. e-mail:


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1Zhou, C. and Newns, D.M.: Intrinsic dead layer effect and the performance of ferroelectric thin film capacitors. J. Appl. Phys. 82, 3081 (1997)
2Petrov, P. and Carlsson, E.F.: Improved SrTiO3 multilayers for microwave application: Growth and properties. J. Appl. Phys. 84, 3134 (1998)
3Treece, R.E., Thompson, J.B., Mueller, C.H., Riykin, T., and Cromar, M.W.: Optimization of SrTiO3 for applications in tunable resonant circuits. IEEE Trans. Appl. Supercond. 7, 2363 (1997)
4Roy, D., Peng, C.J., and Krupanidhi, S.B.: Excimer laser ablated strontium titanate thin films for dynamic random-access memory applications. Appl. Phys. Lett. 60, 2478 (1992)
5Shirane, G. and Yamada, Y.: Lattice-dynamical study of the 110 K phase transition in SrTiO3. Phys. Rev. 177(2), 858 (1969).
6Piskunov, S., Heifets, E., Eglitis, R.I., and Borstel, G.: Bulk properties and electronic structure of SrTiO3, BaTiO3, PbTiO3 perovs-kites: An ab initio HF/DFT study. Comput. Mater. Sci. 29, 165 (2004)
7Hadjiivanov, K.I. and Klissurski, D.G.: Surface chemistry of titania (anatase) and titania-supported catalysts. Chem. Soc. Rev. 25, 61 (1996)
8Nakamura, T., Inada, H., and Iiyama, M.: In situ surface characterization of SrTiO3(100) substrates and homoepitaxial SrTiO3 thin films grown by molecular beam epitaxy and pulsed laser deposition. Appl. Surf. Sci. 130–132, 576 (1998)
9Ong, C.K. and Wang, S.J.: In situ RHEED monitor of the growth of epitaxial anatase TiO2 thin films. Appl. Surf. Sci. 185, 47 (2001)
10Takahashi, R., Matsumoto, Y., Ohsawa, T., Lippmaa, M., Kawasaki, M., and Koinuma, H.: Growth dynamics of the epitaxial SrO film on SrTiO3(001). J. Cryst. Growth 234, 505 (2002)
11Khodan, A.N., Guyard, S., Contour, J.P., Crete, D.G., Jacquet, E., and Bouzehouane, K.: Pulsed laser deposition of epitaxial SrTiO3films: Growth, structure and functional properties. Thin Solid Films 515, 6422 (2007)
12Ohtomo, A. and Hwang, H.Y.: Growth mode control of the free-carrier density in SrTiO3 films. J. Appl. Phys. 102, 083704 (2007)
13Kubo, M., Oumi, Y., Miura, R., Stirling, A., Miyamoto, A., Kawasaki, M., Yoshimoto, M., and Koinuma, H.: Atomic control of layer-by-layer epitaxial growth on SrTiO3(001): Molecular-dynamics simulations. Phys. Rev. B 56(20), 13535 (1997).
14Wohlwend, J.L., Behera, R.K., Jang, I., Phillpot, S.R., and Sinnott, S.B.: Morphology and growth modes of metal-oxides deposited on SrTiO3. Surf. Sci. 603(6), 873 (2009)
15Sekiguchi, S., Fujimoto, M., Nomura, M., Cho, S.B., Tanaka, J., Nishihara, T., Kang, M.G., and Park, H.H.: Atomic force microscopic observation of SrTiO3 polar surface. Solid State Ionics 108, 73 (1998)
16Wolf, D., Keblinski, P., Phillpot, S.R., and Eggebrecht, J.: Exact method for the simulation of Coulombic systems by spherically truncated, pairwise r–1 summation. J. Chem. Phys. 110(17), 8254 (1999)
17Allen, M.P. and Tildesley, D.J.: Computer Simulation of Liquids (Oxford University Press, Oxford, UK, 1987), pp. 155, 162.
18Kennedy, R.J. and Stampe, P.A.: The influence of lattice mismatch and film thickness on the growth of TiO2 on LaAlO3 and SrTiO3substrates. J. Cryst. Growth 252, 333 (2003)
19Koster, G., Rijnders, G., Blank, D.H.A., and Rogalla, H.: Surface morphology determined by (001) single-crystal SrTiO3 termination. Physica C 339, 215 (2000)
20Liu, L., Lu, H., Fei, Y., Guo, H., Xiang, W., and Chen, Z.: Formation of atomically smooth surfaces on SrTiO3 substrates for epitaxial film growth. J. Cryst. Growth 253, 374 (2003)
21Tse, Y.Y., Koutsonas, Y., Jackson, T.J., Passerieux, G., and Jones, I.P.: Microstructure of homoepitaxial strontium titanate films grown by pulsed laser deposition. Thin Solid Films 515, 1788 (2006)
22Blank, D.H.A., Rijnders, G., Koster, G., and Rogalla, H.: In-situ monitoring during pulsed laser deposition using RHEED at high pressure. Appl. Surf. Sci. 127–129, 633 (1998)
23Li, Y.R., Jiang, S.W., Zhang, Y., Deng, X.W., and Wei, X.H.: Surface diffusion during layer growth of SrTiO3 films with pulsed laser molecular beam epitaxy. J. Cryst. Growth 278, 629 (2005)
24Song, J.H. and Jeong, Y.H.: SrTiO3 homoepitaxy by the pulsed laser deposition method: Island, layer-by-layer, and step-flow growth. Solid State Commun. 125, 563 (2003)



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