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The quasiparticle band structures of ordered NixPt1-x.

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 ? point. Non-linear analytical modelling of the quasiparticle correction is shown to be complex.

SUBMITTER: Shuttleworth IG

PROVIDER: S-EPMC6278777 | biostudies-literature | 2018 Dec

REPOSITORIES: biostudies-literature

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The quasiparticle band structures of ordered NixPt1-x.

Shuttleworth I G IG

Heliyon 20181203 12

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 we ...[more]

PMID: 30534621

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