Predominance of the Kitaev interaction in a three-dimensional honeycomb iridate: from ab-initio to spin model

The recently discovered three-dimensional hyperhoneycomb iridate, $\beta$-Li$_2$IrO$_3$, has raised hopes for the realization of dominant Kitaev interaction between spin-orbit entangled local moments due to its near-ideal lattice structure. If true, this material may lie close to the sought-after quantum spin liquid phase in three dimensions. Utilizing ab-initio electronic structure calculations, we first show that the spin-orbit entangled basis, $j_{\rm eff}$=1/2, correctly captures the low energy electronic structure. The effective spin model derived in the strong coupling limit supplemented by the ab-initio results is shown to be dominated by the Kitaev interaction. We demonstrated that the possible range of parameters is consistent with a non-coplanar spiral magnetic order found in a recent experiment. All of these analyses suggest that $\beta$-Li$_2$IrO$_3$ may be the closest among known materials to the Kitaev spin liquid regime.Comment: 9 pages, 6 figures, 2 table

Unusual spin pseudogap behavior in the spin web lattice Cu3TeO6 probed by 125Te nuclear magnetic resonance

We present a 125Te nuclear magnetic resonance (NMR) study in the three-dimensional spin web lattice Cu3TeO6 which harbors topological magnons. The 125Te NMR spectra and the Knight-shift K as a function of temperature show a drastic change at TS∼40K much lower than the Néel ordering temperature TN∼61K, providing evidence for the first-order structural phase transition within the magnetically ordered state. Most remarkably, the temperature dependence of the spin-lattice relaxation rate T−11 unravels spin-gap-like magnetic excitations, which sharply sets in at T∗∼75K, the temperature well above TN. The spin-gap behavior may be understood by weakly dispersive optical magnon branches of high-energy spin excitations originating from the unique corner-sharing Cu hexagon spin-1/2 network with low coordination number