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Dislocations, lattice slip, defects and rotated domains: The effect of a lattice misfit on supported thin-film metal oxides

Sayle, D.C., Watson, G.W. (2000) Dislocations, lattice slip, defects and rotated domains: The effect of a lattice misfit on supported thin-film metal oxides. Physical Chemistry Chemical Physics, 2 (23). pp. 5491-5499. ISSN 14639076 (ISSN). (doi:10.1039/b006587k) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:46823)

The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided.
Official URL:
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Abstract

Simulated amorphisation and recrystallisation has been employed to explore the structure of ultra-thin metal oxide films supported on a metal oxide substrate. The simulation methodology involves forcing the thin film to undergo an amorphous transition before recrystallising, enabling various structural modifications to evolve during the course of the simulation in response solely to the lattice misfit and underlying support. The resulting atomistic structure of dislocations (screw-edge and pure edge), defects (vacancies, interstitials and substitutions), lattice slip, coherent domains, commensurate regions and low angle rotated domains, identified to have evolved within the thin films in response to the lattice misfit, are presented using computer graphics. Moreover, by performing atomistic simulations, which approach the meso-scale (31 100 Ã?2 interfacial simulation cell size), we have been able to account for the synergistic interactions between neighbouring structural features, which may lead to changes in their basic structure.

Item Type: Article
DOI/Identification number: 10.1039/b006587k
Additional information: Unmapped bibliographic data: LA - English [Field not mapped to EPrints] J2 - Phys. Chem. Chem. Phys. [Field not mapped to EPrints] AD - Dept. of Environ./Ordnance Systems, Cranfield University, Royal Military College of Science, Swindon SN6 8LA, United Kingdom [Field not mapped to EPrints] DB - Scopus [Field not mapped to EPrints]
Uncontrolled keywords: metal oxide, article, chemical interaction, crystal structure, crystallization, film, metal binding, simulation, structure analysis
Subjects: Q Science
Divisions: Divisions > Division of Natural Sciences > Physics and Astronomy
Depositing User: Dean Sayle
Date Deposited: 06 Mar 2015 16:42 UTC
Last Modified: 16 Nov 2021 10:19 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/46823 (The current URI for this page, for reference purposes)

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