FeZnSb2: A possible NiAs-type hexagonal superconductor
Abstract
We present a first-principles investigation of electronic structure, lattice dynamics, and electron-phonon coupling of NiAs-type structure FeZnSb2 and the isostructural parent compound FeSb within the framework of density functional theory. The calculation on partial disordered system FeZnSb2 was performed in a fixed configuration. This hypothetical ordered structure is predicted to be superconducting.
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