Disproportionation and Metallization at Low-Spin to High-Spin Transition in Multiorbital Mott Systems

Details Disproportionation and Metallization at Low-Spin to High-Spin Transition in Multiorbital Mott Systems Disproportionation and Metallization at Low-Spin to High-Spin Transition in Multiorbital Mott Systems

2011-03-11

arxiv.org/abs/1103.2249v1

Phys. Rev. Lett. 106, 256401 (2011)

Physics

Condensed Matter

Strongly Correlated Electrons

4+ pages, 4 figures

Scientific paper

10.1103/PhysRevLett.106.256401

We study the thermally driven spin state transition in a two-orbital Hubbard model with crystal field splitting, which provides a minimal description of the physics of LaCoO3. We employ the dynamical mean-field theory with quantum Monte-Carlo impurity solver. At intermediate temperatures we find a spin disproportionated phase characterized by checkerboard order of sites with small and large spin moments. The high temperature transition from the disproportionated to a homogeneous phase is accompanied by vanishing of the charge gap. With the increasing crystal-field splitting the temperature range of the disproportionated phase shrinks and eventually disappears completely.

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