MATEC Web Conf.
Volume 67, 2016International Symposium on Materials Application and Engineering (SMAE 2016)
|Number of page(s)||6|
|Section||Chapter 2 Electronic Technology|
|Published online||29 July 2016|
Studies on the G Factors and Superhyperfine Parameters of the Tetragonal [Fe(CN)4·(CN)Cl]5–Group in NaCl
Department of Applied Physics, School of Physical Electronics, University of Electronic Science and Technology of China, Chengdu 610054, P. R. China
The g factors and superhyperfine parameters of the tetragonal [Fe(CN)4·(CN)Cl]5 group in NaCl are theoretically investigated from the perturbation formulas of these parameters for a tetragonally elongated octahedral low spin (S=1/2) 3d7 cluster. This center is ascribed to the substitutional Fe+ on host Na+ site associated with one of the axial ligands CN– replaced by Cl–. Since the crystal-fields arising from the axial Cl– and CN– ions are weaker than those of the four planar CN–, the impurity center is characterized as the tetragonally elongated octahedron. The calculated g factors and superhyperfine parameters show reasonable agreement with the measured values. The results are discussed.
© The Authors, published by EDP Sciences, 2016
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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