Spin-$0$ Mott insulator to metal to spin-$1$ Mott insulator transition in the single-orbital Hubbard model on the decorated honeycomb lattice

Abstract

We study the interplay of strong electron correlations and intra-triangle spin exchange at two-thirds filling of the single-orbital Hubbard model on the decorated honeycomb lattice using rotationally invariant slave bosons. We find that the spin exchange tunes between a spin-$1$ Mott insulator, a metal, and a spin-$0$ Mott insulator when the exchange is antiferromagnetic. The Mott insulators occur from effective intra-triangle multi-orbital interactions and are adiabatically connected to the ground state of an isolated triangle. An antiferromagnetic spin exchange, as determined by the Goodenough-Kanamori rules, may occur in coordination polymers from kinetic exchange via the ligands. We characterize the magnetism in the regime where spin-triplets dominate. For small $U$ a spin-$1$ Slater insulator occurs with antiferromagnetic order between triangles. Magnetism in the spin-$1$ Mott insulator is described by a spin-$1$ Heisenberg model on a honeycomb lattice, whose ground state is Néel ordered.

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