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

Shuttleworth, I.G. ORCID: 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:
NumberType
10.1016/j.cplett.2016.10.080DOI
S000926141630865XUNSPECIFIED
Divisions: Schools > School of Science and Technology
Depositing User: Linda Sullivan
Date Added: 18 Nov 2016 15:40
Last Modified: 01 Nov 2017 03:00
URI: http://irep.ntu.ac.uk/id/eprint/29171

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