Title: Theoretical studies of ⁶³Cu Knight shifts of the normal state of YBa₂Cu₃O₇
Author(s):

	M.Q. Kuang (Department of Applied Physics, University of Electronic Science and Technology of China, 610054 Chengdu, P.R. China) ,
	S.Y. Wu (Department of Applied Physics, University of Electronic Science and Technology of China, 610054 Chengdu, P.R. China; International Centre for Materials Physics, Chinese Academy of Science, 110016 Shenyang, P.R. China) ,
	Z.H. Zhang (Department of Applied Physics, University of Electronic Science and Technology of China, 610054 Chengdu, P.R. China) ,
	B.T. Song (Department of Applied Physics, University of Electronic Science and Technology of China, 610054 Chengdu, P.R. China)

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

Key words: electron paramagnetic resonance, nuclear magnetic resonance, Knight Shift, ⁶³Cu, YBa₂Cu₃O₇
PACS: 71.70.Ch, 74.25.Nf, 74.72.Bk

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