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