Abstract
We report a study of the structure and magnetic properties of the S = 3/2 zigzag spin chain compound BaCoTe2O7. Neutron diffraction measurements show that it crystallizes in the noncentrosymmetric space group Ama2 with a canted ↑↑↓↓ spin structure along the quasi-one-dimensional zigzag chain and a moment size of 1.89(2) µB at 2 K. Both magnetic susceptibility and specific heat measurements yield an antiferromagnetic phase transition at TN = 6.2 K. A negative Curie-Weiss temperature, ΘCW = −74.7(2) K, and an empirical frustration parameter, f = ∣ΘCW∣/TN ≈ 12, are obtained by fitting the magnetic susceptibility, indicating antiferromagnetic interactions and strong magnetic frustration. From ultraviolet-visible absorption spectroscopy and first-principles calculations, an indirect band gap of 2.68(2) eV is determined. We propose that the canted zigzag spin chain of BaCoTe2O7 may produce a change in the polarization via the exchange-striction mechanism.
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