Properties of KCo$_2$As$_2$ and Alloys with Fe and Ru: Density Functional Calculations

TL;DR

This study uses density functional calculations to analyze the electronic structures of KCo₂As₂ and its alloys with Fe and Ru, revealing similarities to Fe-based superconductors and differences in magnetic properties.

Contribution

It provides detailed electronic structure insights for KCo₂As₂ alloys, highlighting their potential relation to superconductivity and magnetic behavior.

Findings

Alloys exhibit coherent electronic structures similar to Fe-based superconductors.

KCo₂As₂ alloys are less magnetic than Fe counterparts.

Fermi surface structures are preserved near six d-electrons per transition metal.

Abstract

Electronic structure calculations are presented for KCo$_2$As$_2$ and alloys with KFe$_2$As$_2$ and KRu$_2$As$_2$. 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 six per transition metal. However, they are less magnetic than the corresponding Fe compounds. These results are discussed in relation to superconductivity.