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The quasiparticle band structures of ordered Ni(x)Pt(1-x)

The quasiparticle band structures of the ordered L1(2) and L1(0) phases of Ni(x)Pt(1-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 wh...

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Autor principal: Shuttleworth, I.G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6278777/
https://www.ncbi.nlm.nih.gov/pubmed/30534621
http://dx.doi.org/10.1016/j.heliyon.2018.e01000
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author Shuttleworth, I.G.
author_facet Shuttleworth, I.G.
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description The quasiparticle band structures of the ordered L1(2) and L1(0) phases of Ni(x)Pt(1-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.
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spelling pubmed-62787772018-12-10 The quasiparticle band structures of ordered Ni(x)Pt(1-x) Shuttleworth, I.G. Heliyon Article The quasiparticle band structures of the ordered L1(2) and L1(0) phases of Ni(x)Pt(1-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. Elsevier 2018-12-03 /pmc/articles/PMC6278777/ /pubmed/30534621 http://dx.doi.org/10.1016/j.heliyon.2018.e01000 Text en © 2018 The Author. Published by Elsevier Ltd. http://creativecommons.org/licenses/by-nc-nd/4.0/ This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Article
Shuttleworth, I.G.
The quasiparticle band structures of ordered Ni(x)Pt(1-x)
title The quasiparticle band structures of ordered Ni(x)Pt(1-x)
title_full The quasiparticle band structures of ordered Ni(x)Pt(1-x)
title_fullStr The quasiparticle band structures of ordered Ni(x)Pt(1-x)
title_full_unstemmed The quasiparticle band structures of ordered Ni(x)Pt(1-x)
title_short The quasiparticle band structures of ordered Ni(x)Pt(1-x)
title_sort quasiparticle band structures of ordered ni(x)pt(1-x)
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6278777/
https://www.ncbi.nlm.nih.gov/pubmed/30534621
http://dx.doi.org/10.1016/j.heliyon.2018.e01000
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