Importance of [Formula: see text] orbital and electron correlation in iron-based superconductors revealed by phase diagram for 1111-system

Sci Rep. 2021 May 11;11(1):10006. doi: 10.1038/s41598-021-89231-2.

Abstract

The structural flexibility at three substitution sites in LaFeAsO enabled investigation of the relation between superconductivity and structural parameters over a wide range of crystal compositions. Substitutions of Nd for La, Sb or P for As, and F or H for O were performed. All these substitutions modify the local structural parameters, while the F/H-substitution also changes band filling. It was found that the superconducting transition temperature [Formula: see text] is strongly affected by the pnictogen height [Formula: see text] from the Fe-plane that controls the electron correlation strength and the size of the [Formula: see text] hole Fermi surface (FS). With increasing [Formula: see text], weak coupling BCS superconductivity switches to the strong coupling non-BCS one where electron correlations and the [Formula: see text] hole FS may be important.