Abstract
The electron paramagnetic resonance (EPR) g factors g (ayen) and g (aSyen) of the tetragonal NdBa2Cu3O6.1 are theoretically studied using the perturbation formulas of the g factors for a 4f (3) ion in tetragonal symmetry. In the calculations, the influences of the admixtures of various energy levels are considered, while the tetragonal field parameters are determined from the local structural data of Nd3+ site using the superposition model. The theoretical g factors are in reasonable agreement with the observed values. The positive anisotropy g (aSyen) - g (ayen) is attributable to the elongation of the oxygen cube around Nd3+ along the C (4) axis in NdBa2Cu3O6.1. The magnitude (average) of the g factors for NdBa2Cu3O6.1 is lower than that for the previously observed NdBa2Cu3O7-delta (0 <delta < 1). This can be ascribed to the different oxygen amount and the dissimilar local environments around Nd3+ under different preparation conditions and parameters. Further, the lowest Kramers doublet of the present NdBa2Cu3O6.1 is the unresolved I" (7,8), while that of NdBa2Cu3O7 is I" (6).
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