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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
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Elsevier
2018
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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. |
author_sort | Shuttleworth, I.G. |
collection | PubMed |
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. |
format | Online Article Text |
id | pubmed-6278777 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | Elsevier |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT shuttleworthig thequasiparticlebandstructuresoforderednixpt1x AT shuttleworthig quasiparticlebandstructuresoforderednixpt1x |