Nearest-neighbor Kitaev exchange blocked by charge order in electron doped $α$-RuCl$_{3}$ (1709.05176v2)

Abstract: A quantum spin-liquid might be realized in $\alpha$-RuCl${3}$, a honeycomb-lattice magnetic material with substantial spin-orbit coupling. Moreover, $\alpha$-RuCl${3}$ is a Mott insulator, which implies the possibility that novel exotic phases occur upon doping. Here, we study the electronic structure of this material when intercalated with potassium by photoemission spectroscopy, electron energy loss spectroscopy, and density functional theory calculations. We obtain a stable stoichiometry at K${0.5}$RuCl$_3$. This gives rise to a peculiar charge disproportionation into formally Ru$^{2+}$ (4$d^6$) and Ru$^{3+}$ (4$d^5$). Every Ru 4$d^5$ site with one hole in the $t{2g}$ shell is surrounded by nearest neighbors of 4$d^6$ character, where the $t_{2g}$ level is full and magnetically inert. Thus, each type of Ru sites forms a triangular lattice and nearest-neighbor interactions of the original honeycomb are blocked.