Electronic structure and magnetic properties of the strong-rung spin-1 ladder compound Rb${}_3$Ni${}_2$(NO${}_3$)${}_7$

Abstract

Small single crystals of Rb${}_3$Ni${}_2$(NO${}_3$)${}_7$ were obtained by crystallization from anhydrous nitric acid solution of rubidium nitrate and nickel nitrate hexahydrate. The basic elements of the crystal structure of this new compound are isolated spin-1 two-leg ladders of Ni${}^{2+}$-ions connected by (NO${}_3$)${}^{-}$ groups. The experimental data show the absence of long range magnetic order at T $\ge 2$~K. LDA+U calculations and the detailed analysis of the experimental data, i.e. of the magnetic susceptibility, the specific heat in magnetic fields up to 9~T, the magnetization, and of the high-frequency electron spin resonance data, enable quantitative estimates of the relevant parameters of the $S=1$ ladders in Rb${}_3$Ni${}_2$(NO${}_3$)${}_7$ . The rung-coupling $J_1=10.5$~K, the leg-coupling $J_2=1.6$~K, and the uniaxial anisotropy $|A|=179$~GHz are obtained. The scenario of spin liquid quantum ground state is further corroborated by quantum Monte Carlo simulations of the magnetic susceptibility.

arXiv comment10 pages, 11 figures

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