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The 63Cu Knight shifts and g factors for the normal state of YBa2Cu3O7 intetragonal phase are theoretically studied in a uniform way from the high(fourth-) order perturbation formulas of these parameters for a 3d9 ion undertetragonally elongated octahedra. The calculations are quantitativelycorrelated with the local structure of the Cu2+(2) site in YBa2Cu3O7. Thetheoretical results show good agreement with the observed values, and theimprovements are achieved by adopting fewer adjustable parameters as comparedto the previous works. It is found that the significant anisotropy of theKnight shifts is mainly attributed to the anisotropy of the g factors due tothe orbital interactions.

Theoretical studies of 63Cu Knight shifts of the normal state of YBa2Cu3O7