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NaCl clusters on MgO(001): A model system to explore interfacial crystal growth, nucleation, and grain-boundary formation

Sayle, D.C., Catlow, C.R.A., Perrin, M.-A. (1997) NaCl clusters on MgO(001): A model system to explore interfacial crystal growth, nucleation, and grain-boundary formation. Physical Review B: Condensed Matter and Materials Physics, 56 (24). pp. 15952-15961. ISSN 0163-1829. (doi:10.1103/PhysRevB.56.15952) (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:46831)

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. (Contact us about this Publication)
Official URL
http://dx.doi.org/10.1103/PhysRevB.56.15952

Abstract

We present a method for constructing interface models, based on the sequential deposition of ions on a substrate surface in conjunction with energy minimization. The results provide information on how the substrate directs the growth of the overlying material and show that as well as factors arising from the misfit between the two materials, both surface steps or defects, may lead to the formation of grain boundaries in the overlying thin film, with implications for supported superconducting thin films and catalysis.

Item Type: Article
DOI/Identification number: 10.1103/PhysRevB.56.15952
Subjects: Q Science
Divisions: Faculties > Sciences > School of Physical Sciences > Functional Materials Group
Depositing User: Dean Sayle
Date Deposited: 20 Mar 2015 16:02 UTC
Last Modified: 23 Jan 2020 04:09 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/46831 (The current URI for this page, for reference purposes)
Sayle, D.C.: https://orcid.org/0000-0001-7227-9010
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