High-Spin to Low-Spin and Orbital Polarization Transitions in Multiorbital Mott Systems

Philipp Werner and Andrew J. Millis
Phys. Rev. Lett. 99, 126405 – Published 19 September 2007

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 eg 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.

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  • Received 1 April 2007

DOI:https://doi.org/10.1103/PhysRevLett.99.126405

©2007 American Physical Society

Authors & Affiliations

Philipp Werner and Andrew J. Millis

  • Columbia University, 538 West, 120th Street, New York, New York 10027, USA

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Issue

Vol. 99, Iss. 12 — 21 September 2007

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