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Title: Coexistence of epitaxial lattice rotation and twinning tilt induced by surface symmetry mismatch

Combined x-ray diffraction and first-principles studies of various epitaxial rutile-type metal dioxide films on Al{sub 2}O{sub 3}(0001) substrates reveal an unexpected rectangle-on-parallelogram heteroepitaxy. Unique matching of particular lattice spacings and crystal angles between the oxygen sublattices of Al{sub 2}O{sub 3}(0001) and the film(100) result in coexisted crystal rotation and lattice twinning inside the film. We demonstrate that, besides symmetry and lattice mismatch, angular mismatch along a specific crystal direction is also an important factor determining epitaxy. A generalized theorem has been proposed to explain epitaxial behaviors for tetragonal metal dioxides on Al{sub 2}O{sub 3}(0001).
Authors:
;  [1] ;  [2] ;  [3]
  1. Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)
  2. School of Physical Electronics, University of Electronic Science and Technology of China, Chengdu 610054 (China)
  3. Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States)
Publication Date:
OSTI Identifier:
22300076
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 104; Journal Issue: 22; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ALUMINIUM OXIDES; COMPUTERIZED SIMULATION; CRYSTAL DEFECTS; CRYSTAL STRUCTURE; CRYSTALS; EPITAXY; FILMS; METALS; OXIDES; OXYGEN; ROTATION; RUTILE; SUBSTRATES; SURFACES; SYMMETRY; X-RAY DIFFRACTION