Quasi-one-dimensional magnetism in the spin-$\frac{1}{2}$ antiferromagnet BaNa${}_2$Cu(VO${}_4$)${}_2$

Abstract

We report synthesis and magnetic properties of quasi-one-dimensional spin-$\frac{1}{2}$ Heisenberg antiferromagnetic chain compound BaNa${}_2$Cu(VO${}_4$)${}_2$. This orthovanadate has a centrosymmetric crystal structure, $C2/c$, where the magnetic Cu${}^{2+}$ ions form spin chains. These chains are arranged in layers, with the chain direction changing by 62${}^0$ between the two successive layers. Alternatively, the spin lattice can be viewed as anisotropic triangular layers upon taking the inter-chain interactions into consideration. Despite this potential structural complexity, temperature-dependent magnetic susceptibility, heat capacity, ESR intensity, and NMR shift agree well with the uniform spin-$1/2$ Heisenberg chain model with an intrachain coupling of $J/k_{\mathrm{B}}\simeq 5.6$ K. The saturation field obtained from the magnetic isotherm measurement consistently reproduces the value of $J/k_{\mathrm{B}}$. Further, the ${}^{51}$V NMR spin-lattice relaxation rate mimics the 1D character in the intermediate temperature range, whereas magnetic long-range order sets in below $T_{\mathrm{N}}\simeq 0.25$ K. The effective interchain coupling is estimated to be $J_{\perp }/k_{\mathrm{B}}\simeq 0.1$ K. The theoretical estimation of exchange couplings using band-structure calculations reciprocate our experimental findings and unambiguously establish the 1D character of the compound. Finally, the spin lattice of BaNa${}_2$Cu(VO${}_4$)${}_2$ is compared with the chemically similar but not isostructural compound BaAg${}_2$Cu(VO${}_4{)}_2$.

12 pages, 11 figures, 1 table, Phys. Rev. B (accepted)

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