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Electronic properties, low-energy Hamiltonian, and superconducting instabilities in CaKFe4As4

Felix Lochner, Felix Ahn, Tilmann Hickel, Ilya Eremin

DOI 10.1103/PhysRevB.96.094521 · Physical Review B

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Abstract

We analyze the electronic properties of the recently discovered stoichiometric superconductor CaKFe4As4 by combining an ab initio approach and a projection of the band structure to a low-energy tight-binding Hamiltonian, based on the maximally localized Wannier orbitals of the 3d Fe states. We identify the key symmetries as well as differences and similarities in the electronic structure between CaKFe4As4 and the parent systems CaFe2As2 and KFe2As2. In particular, we find CaKFe4As4 to have a significantly more quasi-two-dimensional electronic structure than the latter systems. Finally, we study the superconducting instabilities in CaKFe4As4 by employing the leading angular harmonics approximation and find two potential A1g-symmetry representations of the superconducting gap to be the dominant instabilities in this system.

Source-reported materials — not catalogue approval

FormulaReported Tc (K)Pressure (GPa)Type
CaKFe4As4

Archive — visibility unverified

Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.

35.8Pressure not reportedunknown
Ba0.46K0.54Fe2As2

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Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.

34Pressure not reportedunknown

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