English

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

Strongly Correlated Electrons 2011-06-23 v1 Materials Science

Abstract

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.

Keywords

Cite

@article{arxiv.1103.2249,
  title  = {Disproportionation and Metallization at Low-Spin to High-Spin Transition in Multiorbital Mott Systems},
  author = {Jan Kunes and Vlastimil Krapek},
  journal= {arXiv preprint arXiv:1103.2249},
  year   = {2011}
}

Comments

4+ pages, 4 figures