Hund's metallicity and orbital-selective Mott localization of CrO$_{2}$ in the paramagnetic state
Strongly Correlated Electrons
2016-11-18 v1
Abstract
We present electronic structure calculations of a CrO compound in the paramagnetic state within the computational scheme of density-functional theory combined with dynamical mean-field theory. We find that CrO in the paramagnetic state is a strongly-correlated Hund's metal with mixed-valent Cr ions. At high temperatures, CrO shows an orbital-selective Mott phase, in which the Cr orbital is Mott-localized while the other Cr orbitals remain itinerant. When the temperature is lowered, the orbital-selective Mott state is found to evolve into a Kondo-like heavy-fermion state with a small pseudo gap at the Fermi level if the system remains in the paramagnetic state.
Keywords
Cite
@article{arxiv.1611.05568,
title = {Hund's metallicity and orbital-selective Mott localization of CrO$_{2}$ in the paramagnetic state},
author = {Mu-Yong Choi},
journal= {arXiv preprint arXiv:1611.05568},
year = {2016}
}
Comments
6 pages, 4 figures