Crystal growth and magnetic properties of hexagonal Ba4CuNb3O12 single crystals†

IF 2.6 3区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

CrystEngComm Pub Date : 2025-03-19 DOI:10.1039/D5CE00085H

Yuhu Huang, Wen Xie, Fei Zheng, Chao Zhang and Han-Shu Xu

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Abstract

We report a systematic investigation of the growth of high-quality hexagonal perovskite Ba₄CuNb₃O₁₂ single crystals using the flux method. The optimal growth involved using the tetragonal phase BaCu_0.33Nb_0.67O₃ as the precursor, with 20 g CuO as the flux, a cooling rate of 1 °C h⁻¹ between 1350 °C and 1100 °C, and a cooling rate of 2 °C h⁻¹ from 1100 °C to 930 °C. The magnetic properties along the ab-plane and the perpendicular direction are thoroughly studied. Fitting the inverse magnetic susceptibility data from 2 K to 300 K with the modified Curie–Weiss (CW) law yields a Weiss temperature (θ_CW) of −1.14 K, indicating the presence of antiferromagnetic correlations in the ground state between Cu²⁺ ions via superexchange interactions. Furthermore, the specific heat data of Ba₄CuNb₃O₁₂ align well with the Debye–Einstein phonon model, allowing us to estimate the Debye temperature of 199 K and the average phonon velocity of 2014.98 m s⁻¹.

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六方 Ba4CuNb3O12 单晶的晶体生长和磁性能†.

本文报道了用助熔剂法生长高质量六方钙钛矿Ba4CuNb3O12单晶的系统研究。最优生长条件为：以正方相BaCu0.33Nb0.67O3为前驱体，以20 g CuO为助熔剂，在1350 ~ 1100℃范围内冷却速率为1℃h−1，在1100 ~ 930℃范围内冷却速率为2℃h−1。研究了沿ab面和垂直方向的磁性能。用修正的居里-魏斯（CW）定律拟合2 ~ 300 K的反磁化率数据，得到魏斯温度（θCW）为- 1.14 K，表明Cu2+离子之间通过超交换相互作用在基态存在反铁磁相关。此外，Ba4CuNb3O12的比热数据与Debye - einstein声子模型很好地吻合，使我们能够估计Debye温度为199 K，平均声子速度为2014.98 m s−1。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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