4.6 Article

Properties of KCo2As2 and alloys with Fe and Ru: Density functional calculations

期刊

PHYSICAL REVIEW B
卷 79, 期 17, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.79.174520

关键词

arsenic alloys; cobalt alloys; density functional theory; electronic structure; Fermi surface; iron alloys; potassium alloys; ruthenium alloys; superconductivity

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  1. Department of Energy, Division of Materials Sciences and Engineering

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Electronic-structure calculations are presented for KCo2As2 and alloys with KFe2As2 and KRu2As2. These materials show electronic structures characteristic of coherent alloys with a similar Fermi surface structure to that of the Fe-based superconductors when the d-electron count is near 6 per transition metal. However, they are less magnetic than the corresponding Fe compounds. These results are discussed in relation to superconductivity.

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