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Analysis of local symmetry and impurity location of Cu~(2+) ions doped C_8H_(11)KO_8 single crystal through EPR technique for site I

机译:通过EPR技术对现场IPR技术分析Cu〜(2+)离子掺杂C_8H_(11)KO_8单晶的局部对称和杂质定位

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Electron paramagnetic resonance (EPR) studies have been investigated on Cu~(2+) ion incorporated into the single crystals of potassium succinate-succinic acid (KSSA) at room temperature. Two magnetically in-equivalent Cu~(2+) sites in the lattice are identified, among them site I has been reported. The spin Hamiltonian parameters are determined with the fitting of spectra to rhombic symmetry crystalline field. The co-ordination of the Cu~(2+) ion in this molecule is a distorted dodecahedron. From the calculated g_(xx), g_(yy), g_(zz) and A_(xx), A_(yy), A_(zz) and their directional cosines values, location of site I impurity ion Cu~(2+) could be identified as a substituitional one. Also the ground state wave function of the impurity ion was found to be d_(2~z).
机译:在室温下,在Cu〜(2+)离子上研究了Cu〜(2+)离子的电子顺磁共振(EPR)研究。 鉴定了晶格中的两个磁性相同的Cu〜(2+)位点,其中包括据报道。 通过拟合光谱与菱形对称晶体场的拟合来确定旋转哈密尔顿参数。 该分子中Cu〜(2+)离子的协调是一种扭曲的十二锭。 从计算的G_(xx),g_(yy),g_(zz)和a_(xx),a_(yy),a_(zz)及其定向余弦值,地点I杂质离子cu〜(2+)的位置 可以被识别为替代物。 还发现杂质离子的地态波函数是D_(2〜Z)。

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