Cause, Consequence, and Control of Ag Vacancies in BaAg 2– x As 2
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Kyveryga, Victoria↗
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Materials Data on BaAg by Materials Project
BaAg crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 7-coordinate geometry to seven equivalent Ag atoms. There are a spread of Ba–Ag bond distances ranging from 3.51–3.71 Å. Ag is bonded in a 9-coordinate geometry to seven equivalent Ba and two equivalent Ag atoms. Both Ag–Ag bond lengths are 3.02 Å.
36 MATERIALS SCIENCE↗
Quasi-one-dimensional magnetism in the spin-12 antiferromagnet BaNa 2 Cu(VO 4 ) 2
Here, we report synthesis and magnetic properties of quasi-one-dimensional spin- 1 2 Heisenberg antiferromagnetic chain compound BaNa 2 Cu ( VO 4 ) 2 . This orthovanadate has a centrosymmetric crystal structure, C 2 / c , where the magnetic Cu 2 + ions form spin chains. These chains are arranged in layers, with the chain direction changing by 62 ° between the two successive layers. Alternatively, the spin lattice can be viewed as anisotropic triangular layers upon taking the interchain interactions into consideration. Despite this potential structural complexity, temperature-dependent magnetic susceptibility, heat capacity, electron spin resonance intensity, and nuclear magnetic resonance (NMR) shift agree well with the uniform spin- 1 / 2 Heisenberg chain model with an intrachain coupling of J / k B ≃ 5.6 K. The saturation field obtained from the magnetic isotherm measurement consistently reproduces the value of J / k B . Further, the V 51 NMR spin-lattice relaxation rate mimics the one-dimensional character in the intermediate temperature range, whereas magnetic long-range order sets in below T N ≃ 0.25 K. The effective interchain coupling is estimated to be J ⊥ / k B ≃ 0.1 K. The theoretical estimation of exchange couplings using band-structure calculations reciprocate our experimental findings and unambiguously establish the one-dimensional 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 .
36 MATERIALS SCIENCE↗