The quasiparticle band structures of ordered NixPt1-x

Shuttleworth, I.G. ORCID: 0000-0001-8655-9718, 2018. The quasiparticle band structures of ordered NixPt1-x. Heliyon, 4 (12): e01000. ISSN 2405-8440

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Abstract

The quasiparticle band structures of the ordered L12 and L10 phases of NixPt1-x (x = 0.25, 0.5, and 0.75) have been calculated and compared to the band structures obtained using density functional theory. For each alloy, an increase in the curvature of the band structure is generally seen when the quasiparticle correction is made. Non-dispersive regions are shown to include a dispersive component under the quasiparticle correction. The quasiparticle weights are k-dependent and greater towards the Γ point. Non-linear analytical modelling of the quasiparticle correction is shown to be complex.

Item Type: Journal article
Publication Title: Heliyon
Creators: Shuttleworth, I.G.
Publisher: Elsevier
Date: December 2018
Volume: 4
Number: 12
ISSN: 2405-8440
Identifiers:
NumberType
10.1016/j.heliyon.2018.e01000DOI
S240584401836866XPublisher Item Identifier
Rights: © 2018 The Author. Published by Elsevier Ltd. Under a Creative Commons license.
Divisions: Schools > School of Science and Technology
Depositing User: Linda Sullivan
Date Added: 06 Dec 2018 15:54
Last Modified: 06 Dec 2018 15:54
URI: http://irep.ntu.ac.uk/id/eprint/35260

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