Magnetic ground state of superconducting Eu(Fe0.88Ir0.12)2As2: A combined neutron diffraction and first-principles calculation study

Abstract

The magnetic order of the localized Eu${}^{2+}$ spins in optimally-doped Eu(Fe${}_{1-x}$Ir${}_x$)${}_2$As${}_2$ ($x$ = 0.12) with superconducting transition temperature $T_{SC}$ = 22 K was investigated by single-crystal neutron diffraction. The Eu${}^{2+}$ moments were found to be ferromagnetically aligned along the $c$-direction with an ordered moment of 7.0(1) ${\mu }_B$ well below the magnetic phase transition temperature $T_C$ = 17 K. No evidence of the tetragonal-to-orthorhombic structural phase transition was found in this compound within the experimental uncertainty, in which the spin-density-wave (SDW) order of the Fe sublattice is supposed to be completely suppressed and the superconductivity gets fully developed. The ferromagnetic groud state of the Eu${}^{2+}$ spins in Eu(Fe${}_{0.88}$Ir${}_{0.12}$)${}_2$As${}_2$ was supported by the first-principles density functional calculation. In addition, comparison of the electronic structure calculations between Eu(Fe${}_{0.875}$Ir${}_{0.125}$)${}_2$As${}_2$ and the parent compound EuFe${}_2$As${}_2$ indicates stronger hybridization and more expanded bandwith due to the Ir substitution, which together with the introduction of electrons might work against the Fe-SDW in favor of the superconductivity.

7 pages, 7 figures, accepted for publication in Physical Review B

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