High-spin to low-spin and orbital polarization transitions in multiorbital Mott systems

Abstract

We study the interplay of crystal field splitting and Hund coupling in a two-orbital model which captures the essential physics of systems with two electrons or holes in the e_g shell. We use single site dynamical mean field theory with a recently developed impurity solver which is able to access strong couplings and low temperatures. The fillings of the orbitals and the location of phase boundaries are computed as a function of Coulomb repulsion, exchange coupling and crystal field splitting. We find that the Hund coupling can drive the system into a novel Mott insulating phase with vanishing orbital susceptibility. Away from half-filling, the crystal field splitting can induce an orbital selective Mott state.

Published version

References in corpus (5)

• Hybridization expansion impurity solver: General formulation and application to Kondo lattice and two-orbital models
• Pressure-induced metal-insulator transition in LaMnO3 is not of Mott-Hubbard type
• Band insulator to Mott insulator transition in a bilayer Hubbard model
• Subband filling and Mott transition in Ca_{2-x}Sr_xRuO_4
• Quantum Monte Carlo study for multiorbital systems with preserved spin and orbital rotational symmetries

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