title: J(eff)=1/2 Mott-insulating state in Rh and Ir fluorides.
abstract: Discovery of new transition metal compounds with large spin orbit coupling coexisting with strong electron-electron correlation among the d electrons is essential for understanding the physics that emerges from the interplay of these two effects. In this study, we predict a novel class of J_{eff}=1/2 Mott insulators in a family of fluoride compounds that are previously synthesized, but not characterized extensively. First principles calculations in the level of all electron density functional theory+dynamical mean field theory indicate that these compounds have large Mott gaps and some of them exhibit unprecedented proximity to the ideal, SU(2) symmetric J_{eff}=1/2 limit.
authors: Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA.
authors: Turan
authors: T
authors: Birol
authors: Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA.
authors: Kristjan
authors: K
authors: Haule