Theoretical Study of the Local Distortion for Ni⁺ in Magnesium Oxide

Abstract:

The local distortion of the impurity Ni+ center in magnesium oxide is theoretically studied by analyzing its electron paramagnetic resonance g factor from the formula of a 3d9 ion under octahedra with tetragonal elongation deformation. The defect center is suggested to exhibit the relative elongation along the four-fold axis by about 0.05 Å of the Jahn-Teller nature. The observed isotropic g factor ( 2.2391) is attributable to the dynamical average of the anisotropic g values under tetragonal elongation due to the dynamical Jahn-Teller effect.

• Periodical: Defect and Diffusion Forum (Volumes 305-306)
• Pages: 55-59
• DOI: https://doi.org/10.4028/www.scientific.net/DDF.305-306.55
• Online since: October 2010
• Authors: Xue Mei Li
• Keywords: Defect Structure, Electron Paramagnetic Resonance (EPR), Magnesium Oxide, Monovalent Nickel

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