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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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Detalles Bibliográficos
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
Descripción
Sumario: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.