English

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 CrO2_{2} compound in the paramagnetic state within the computational scheme of density-functional theory combined with dynamical mean-field theory. We find that CrO2_{2} in the paramagnetic state is a strongly-correlated Hund's metal with mixed-valent Cr ions. At high temperatures, CrO2_{2} shows an orbital-selective Mott phase, in which the Cr dxyd_{xy} orbital is Mott-localized while the other Cr t2gt_{2g} dd 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