Least momentum space frustration as a condition for "high $T_c$ sweet spot" in the iron-based superconductors

TL;DR

This paper investigates how the Fermi surface configuration in iron-based superconductors influences their superconducting properties, identifying an optimal 'sweet spot' with minimal frustration and maximal Fermi surface multiplicity for high critical temperatures.

Contribution

It introduces the concept of least frustration in the sign of the gap function as a key condition for achieving high $T_c$ in iron-based superconductors, linking Fermi surface topology to superconducting strength.

Findings

Optimal superconductivity occurs with three hole Fermi surfaces with specific orbital characters.

The 'sweet spot' configuration is limited to a narrow window in band structure parameters.

Frustration in the gap sign can suppress superconductivity, while minimal frustration enhances it.

Abstract

In the present paper, we describe how the band structure and the Fermi surface of the iron-based superconductors vary as the Fe-As-Fe bond angle changes. We discuss how these Fermi surface configurations affect the superconductivity mediated by spin fluctuations, and show that in several situations, frustration in the sign of the gap function arises due to the repulsive pairing interactions that requires sign change of the order parameter. Such a frustration can result in nodes or very small gaps, and generally works destructively against superconductivity. Conversely, we propose that the optimal condition for superconductivity is realized for the Fermi surface configuration that gives the least frustration while maximizing the Fermi surface multiplicity. This is realized when there are three hole Fermi surfaces, where two of them have $d_{XZ/YZ}$ orbital character and one has $d_{X^2-Y^2}$ {\it for all $k_z$} in the three dimensional Brillouin zone. Looking at the band structures of various iron-based superconductors, the occurrence of such a "sweet spot" situation is limited to a narrow window.