Condensed Matter Physics, 2012, vol. 15, No. 3, p. 33701:1-6
DOI:10.5488/CMP.15.33701           arXiv:1210.2185

Title: Investigations of the g factors and local structure for orthorhombic Cu2+(1) site in fresh PrBa2Cu3O6+x powders
Author(s):
  M.Q.Kuang (Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054, P.R.China) ,
  S.Y. Wu (Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054, P.R.China; International Centre for Materials Physics, Chinese Academy of Science, Shenyang 110016, P.R.China) ,
  B.T. Song (Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054, P.R.China) ,
  X.F. Hu (Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054, P.R.China)

The electron paramagnetic resonance (EPR) g factors gx, gy and gz of the orthorhombic Cu2+(1) site in fresh PrBa2Cu3O6+x powders are theoretically investigated using the perturbation formulas of the g factors for a 3d9 ion under orthorhombically elongated octahedra. The local orthorhombic distortion around the Cu2+(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.

Key words: crystal fields and Hamiltonians, electron paramagnetic resonance,
PACS: 71.70.Ch, 74.25.Nf, 74.72.Bk


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