Non-linear modelling of the effects of strain on transition metal surfaces

Shuttleworth, IG ORCID: https://orcid.org/0000-0001-8655-9718, 2016. Non-linear modelling of the effects of strain on transition metal surfaces. Chemical Physics Letters, 666, pp. 51-57. ISSN 0009-2614

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Abstract

A sequence of polynomial expressions have been shown to describe the strained surface energy of low-index hexagonal and square transition metal surfaces. Distinguishable functions describe the hexagonal FCC(111) and HCP(0001) surfaces, but a single function describes the FCC(100) and BCC(100) surfaces. A far weaker dependence exists between the strained surface energy and the electronic state of the surface, and the competition between geometric and electronic states across is discussed.

Item Type:	Journal article
Publication Title:	Chemical Physics Letters
Creators:	Shuttleworth, I.G.
Publisher:	Elsevier
Date:	1 December 2016
Volume:	666
ISSN:	0009-2614
Identifiers:	Number Type 10.1016/j.cplett.2016.10.080 DOI S000926141630865X UNSPECIFIED
Divisions:	Schools > School of Science and Technology
Record created by:	Linda Sullivan
Date Added:	18 Nov 2016 15:40
Last Modified:	01 Nov 2017 03:00
URI:	https://irep.ntu.ac.uk/id/eprint/29171

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