Transition from Reconstruction toward Thin Film on the (110) Surface of Strontium Titanate

Wang, Z.; Loon, A.; Subramanian, A.; Gerhold, S.; McDermott, E.; Enterkin, J. A.; Hieckel, M.; Russell, B. C.; Green, R. J.; Moewes, A.; Guo, J.; Blaha, P.; Castell, M. R.; Diebold, U.; Marks, L. D.

doi:10.1021/acs.nanolett.5b05211

Title: Transition from Reconstruction toward Thin Film on the (110) Surface of Strontium Titanate

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Abstract

The surfaces of metal oxides often are reconstructed with a geometry and composition that is considerably different from a simple termination of the bulk. Such structures can also be viewed as ultrathin films, epitaxed on a substrate. Here, the reconstructions of the SrTiO₃ (110) surface are studied combining scanning tunneling microscopy (STM), transmission electron diffraction, and X-ray absorption spectroscopy (XAS), and analyzed with density functional theory calculations. Whereas SrTiO₃ (110) invariably terminates with an overlayer of titania, with increasing density its structure switches from n × 1 to 2 × n. At the same time the coordination of the Ti atoms changes from a network of corner-sharing tetrahedra to a double layer of edge-shared octahedra with bridging units of octahedrally coordinated strontium. Furthermore, this transition from the n × 1 to 2 × n reconstructions is a transition from a pseudomorphically stabilized tetrahedral network toward an octahedral titania thin film with stress-relief from octahedral strontia units at the surface.

Authors:

Wang, Z. ^[1]; Loon, A. ^[2]; Subramanian, A. ^[2]; Gerhold, S. ^[1]; McDermott, E. ^[3]; Enterkin, J. A. ^[4]; Hieckel, M. ^[1]; Russell, B. C. ^[5]; Green, R. J. ^[6]; Moewes, A. ^[6]; Guo, J. ^[7]; Blaha, P. ^[3]; Castell, M. R. ^[5]; Diebold, U. ^[1]; Marks, L. D. ^[2]

Institute of Applied Physics, TU Wien, Wiedner Hauptstrasse 8-10/134, 1040 Vienna, Austria
Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, United States
Institute of Materials Chemistry, TU Wien, Getreidemarkt 9/165-TC, 1060 Vienna, Austria
Department of Chemistry, Northwestern University, Evanston, Illinois 60208, United States
Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, United Kingdom
Department of Physics and Engineering Physics, University of Saskatchewan, 116 Science Place, Saskatoon, Saskatchewan S7N 5E2, Canada
Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, People’s Republic of China

Publication Date:: Fri Mar 11 00:00:00 EST 2016

Research Org.:: Northwestern Univ., Evanston, IL (United States)

Sponsoring Org.:: USDOE Office of Science (SC)

OSTI Identifier:: 1241433

Alternate Identifier(s):: OSTI ID: 1345021

Grant/Contract Number:: FG02-01ER45945; FG02-03-ER15457; FG02-03ER15457

Resource Type:: Published Article

Journal Name:: Nano Letters

Additional Journal Information:: Journal Name: Nano Letters Journal Volume: 16 Journal Issue: 4; Journal ID: ISSN 1530-6984

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; DFT; epitaxy; reconstruction; surface structure; thin film nanostructures

Citation Formats


                    Wang, Z., Loon, A., Subramanian, A., Gerhold, S., McDermott, E., Enterkin, J. A., Hieckel, M., Russell, B. C., Green, R. J., Moewes, A., Guo, J., Blaha, P., Castell, M. R., Diebold, U., and Marks, L. D. Transition from Reconstruction toward Thin Film on the (110) Surface of Strontium Titanate.  United States: N. p., 2016. 
Web.  doi:10.1021/acs.nanolett.5b05211.

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                    Wang, Z., Loon, A., Subramanian, A., Gerhold, S., McDermott, E., Enterkin, J. A., Hieckel, M., Russell, B. C., Green, R. J., Moewes, A., Guo, J., Blaha, P., Castell, M. R., Diebold, U., & Marks, L. D. Transition from Reconstruction toward Thin Film on the (110) Surface of Strontium Titanate.  United States.  https://doi.org/10.1021/acs.nanolett.5b05211

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                    Wang, Z., Loon, A., Subramanian, A., Gerhold, S., McDermott, E., Enterkin, J. A., Hieckel, M., Russell, B. C., Green, R. J., Moewes, A., Guo, J., Blaha, P., Castell, M. R., Diebold, U., and Marks, L. D. Fri .  
"Transition from Reconstruction toward Thin Film on the (110) Surface of Strontium Titanate".  United States.  https://doi.org/10.1021/acs.nanolett.5b05211.

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@article{osti_1241433,

  title        = {Transition from Reconstruction toward Thin Film on the (110) Surface of Strontium Titanate},

  author       = {Wang, Z. and Loon, A. and Subramanian, A. and Gerhold, S. and McDermott, E. and Enterkin, J. A. and Hieckel, M. and Russell, B. C. and Green, R. J. and Moewes, A. and Guo, J. and Blaha, P. and Castell, M. R. and Diebold, U. and Marks, L. D.},

  abstractNote = {The surfaces of metal oxides often are reconstructed with a geometry and composition that is considerably different from a simple termination of the bulk. Such structures can also be viewed as ultrathin films, epitaxed on a substrate. Here, the reconstructions of the SrTiO3 (110) surface are studied combining scanning tunneling microscopy (STM), transmission electron diffraction, and X-ray absorption spectroscopy (XAS), and analyzed with density functional theory calculations. Whereas SrTiO3 (110) invariably terminates with an overlayer of titania, with increasing density its structure switches from n × 1 to 2 × n. At the same time the coordination of the Ti atoms changes from a network of corner-sharing tetrahedra to a double layer of edge-shared octahedra with bridging units of octahedrally coordinated strontium. Furthermore, this transition from the n × 1 to 2 × n reconstructions is a transition from a pseudomorphically stabilized tetrahedral network toward an octahedral titania thin film with stress-relief from octahedral strontia units at the surface.},

  doi          = {10.1021/acs.nanolett.5b05211},

  journal      = {Nano Letters},

  number       = 4,

  volume       = 16,

  place        = {United States},

  year         = {Fri Mar 11 00:00:00 EST 2016},

  month        = {Fri Mar 11 00:00:00 EST 2016}

}

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