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) µ_B at 2 K. Both magnetic susceptibility and specific heat measurements yield an antiferromagnetic phase transition at T_N = 6.2 K. A negative Curie-Weiss temperature, Θ_CW = −74.7(2) K, and an empirical frustration parameter, f = ∣Θ_CW∣/T_N ≈ 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.

我们报告了S = 3/2 之字形自旋链化合物 BaCoTe ₂ O ₇的结构和磁性的研究。中子衍射测量表明它在非中心对称空间群Ama 2 中结晶，沿准一维锯齿链具有倾斜的 ↑↑↓↓ 自旋结构，在 2 K 时的矩大小为 1.89(2) µ _B。两者都具有磁化率和比热测量在T _N = 6.2 K处产生反铁磁相变。负居里-魏斯温度 Θ _CW = −74.7(2) K 和经验挫败参数f = ∣Θ _CW ∣/ T _N≈ 12，是通过拟合磁化率获得的，表明反铁磁相互作用和强磁挫败。根据紫外-可见吸收光谱和第一性原理计算，确定了 2.68(2) eV 的间接带隙。我们提出 BaCoTe ₂ O ₇的倾斜锯齿形自旋链可能通过交换限制机制产生极化变化。