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Accommodation of the misfit strain energy in the BaO(100)/MgO(100) heteroepitaxial ceramic interface using computer simulation techniques

Sayle, D.C., Parker, S.C., Harding, J.H. (1994) Accommodation of the misfit strain energy in the BaO(100)/MgO(100) heteroepitaxial ceramic interface using computer simulation techniques. Journal of Materials Chemistry, 4 (12). pp. 1883-1887. ISSN 09599428 (ISSN). (doi:10.1039/jm9940401883) (KAR id:46845)

Abstract

Static atomistic simulation techniques have been employed to investigate the accommodation of the misfit strain energy in the BaO(100)/MgO(100) interface. The materials return to their natural (bulk) lattice parameters a few planes from the interface, while maintaining expanded or contracted lattice parameters at the interface to ensure charge matching of counter ions. BaO also forms three-dimensional islands when grown on MgO(100), in accordance with molecular beam epitaxy results. This behaviour is attributed to the instability of a monatomic BaO layer on MgO compared with a BaO bilayer.

Item Type: Article
DOI/Identification number: 10.1039/jm9940401883
Additional information: Unmapped bibliographic data: LA - English [Field not mapped to EPrints] AD - School of Chemistry, University of Bath, Avon, BA1 7AY, United Kingdom [Field not mapped to EPrints] AD - AEA Technology, B424.4, Harwell Laboratory, Didcot, Oxfordshire, OX11 0RA, United Kingdom [Field not mapped to EPrints] AD - Royal Institution of Great Britain, 21 Albermarle Street, London, W1X 4BS, United Kingdom [Field not mapped to EPrints] DB - Scopus [Field not mapped to EPrints]
Subjects: Q Science
Q Science > QC Physics
Q Science > QD Chemistry
Divisions: Divisions > Division of Natural Sciences > Physics and Astronomy
Depositing User: Dean Sayle
Date Deposited: 21 Jan 2015 16:29 UTC
Last Modified: 09 Mar 2023 11:33 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/46845 (The current URI for this page, for reference purposes)

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