DFT+DMFT study on soft moment magnetism and covalent bonding in SrRu$_2$O$_6$
Strongly Correlated Electrons
2017-11-01 v1
Abstract
Dynamical mean-field theory is used to study the three orbital model of the compound SrRuO both with and without explicitly including the O- states. Depending on the size of the Hund's coupling , at low to intermediate temperatures we find solutions corresponding to Mott or correlated covalent insulator. The latter can explain the experimentally observed absence of Curie susceptibility in the paramagnetic phase. At high temperatures a single phase with smoothly varying properties is observed. SrRuO provides an ideal system to study the competition between the local moment physics and covalent bonding since both effects are maximized, while spin-orbit interaction is found to play a minor role.
Keywords
Cite
@article{arxiv.1706.00328,
title = {DFT+DMFT study on soft moment magnetism and covalent bonding in SrRu$_2$O$_6$},
author = {Atsushi Hariki and Andreas Hausoel and Giorgio Sangiovanni and Jan Kuneš},
journal= {arXiv preprint arXiv:1706.00328},
year = {2017}
}