新制Cu_{3}粉末中正交Cu^{2+}（1）位的g因子和局域结构研究
Investigations of the g factors and local structure for orthorhombic Cu^{2+}(1) site in fresh PrBa_{2}Cu_{3}O_{6+x} powders
摘要：
利用正交拉长八面体下3d^9离子g因子的微扰公式，对新鲜PrBa_{2} Cu_{3} O_{6+x}粉末中正交Cu^{2+}（1）位的电子顺磁共振g因子gx，gy和gz进行了理论研究.由叠加模型得到的正交场参数描述了由于Jahn-Teller效应引起的Cu^{2+}（1）格位附近的局域正交畸变。发现[CuO_6]^{10-}配合物沿c轴的轴向伸长约为0.04 Ω，沿a和b轴的相对键长变化约为0.09 Ω，具有Jahn-Teller性质.基于上述局部结构的g因子的理论计算结果与实验数据符合较好。
英文摘要：
The electron paramagnetic resonance (EPR) g factors g_x, g_y and g_z of the orthorhombic Cu^{2+}(1) site in fresh PrBa_{2}Cu_{3}O_{6+x} powders are theoretically investigated using the perturbation formulas of the g factors for a 3d^9 ion under orthorhombically elongated octahedra. The local orthorhombic distortion around the Cu^{2+}(1) site due to the Jahn-Teller effect is described by the orthorhombic field parameters from the superposition model. The [CuO6]^{10-} complex is found to experience an axial elongation of about 0.04 Å along c axis and the relative bond length variation of about 0.09 Å along a and b axes of the Jahn-Teller nature. The theoretical results of the g factors based on the above local structure are in reasonable agreement with the experimental data.
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