Quantum magnetism of iron-based ladders: Blocks, spirals, and spin flux

Motivated by increasing experimental evidence of exotic magnetism in low-dimensional iron-based materials, we present a comprehensive theoretical analysis of magnetic states of the multiorbital Hubbard ladder in the orbital-selective Mott phase (OSMP). The model we used is relevant for iron-based compounds of the AFe(2)X(3) family (where A = Cs, Rb, Ba, K are alkali metals and X = S, Se are chalcogenides). To reduce computational effort, and obtain almost exact numerical results in the ladder geometry, we utilize a low-energy description of the Hubbard model in the OSMP-the generalized Kondo-Heisenberg Hamiltonian. Our main result is the doping vs interaction magnetic phase diagram. We reproduce the experimental findings on the AFe(2)X(3) materials, especially the exotic block magnetism of BaFe2Se3 (antiferromagnetically coupled 2 x 2 ferromagnetic islands of the up arrow up arrow down arrow down arrow form). As in recent studies of the chain geometry, we also unveil block magnetism beyond the 2 x 2 pattern (with block sizes varying as a function of the electron doping) and also an interaction-induced frustrated block-spiral state (a spiral order of rigidly rotating ferromagnetic islands). Moreover, we predict new phases beyond the one-dimensional system: a robust regime of phase separation close to half filling, incommensurate antiferromagnetism for weak interaction, and a quantum spin-flux phase of staggered plaquette spin currents at intermediate doping. Finally, exploiting the bonding/antibonding band occupations, we provide an intuitive physical picture giving insight into the structure of the phase diagram.

Automated summary

Motivated by experimental evidence of exotic magnetism in low-dimensional iron-based materials, the study presents a comprehensive theoretical analysis of magnetic states in the multiorbital Hubbard ladder in the orbital-selective Mott phase. The main result is the doping vs interaction magnetic phase diagram, reproducing experimental findings on AFe(2)X(3) materials and predicting new phases.