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Explanations of the optical absorption and ESR spectrum for tetragonal Ni + centers in CuAlS 2 :Ni + crystals
Author(s) -
Wu Ying,
Wang LiJuan J.,
Liu GuoYue
Publication year - 2010
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.201000121
Subject(s) - tetragonal crystal system , electron paramagnetic resonance , ion , hyperfine structure , absorption (acoustics) , absorption spectroscopy , chemistry , spin (aerodynamics) , resonance (particle physics) , atomic physics , metal , crystallography , doping , analytical chemistry (journal) , crystal structure , nuclear magnetic resonance , materials science , condensed matter physics , physics , optics , organic chemistry , chromatography , thermodynamics , composite material
In this paper, the optical absorption and electron spin resonance (ESR) spectrum of Ni + ‐doped CuAlS 2 crystals have been studied by using a double spin‐orbit (SO) coupling approximation model, where the effects due to the SO coupling of the central metal 3d 1 ion and those of ligands are included. From this model, the formulas of the ESR g factors g ‖ , g ⊥ and hyperfine structure constants A ‖ , A ⊥ for 3d 1 ions in the tetragonal MX 4 clusters are constructed. The optical absorption and ESR parameters for Cu + sites of CuAlS 2 have been calculated. The results obtained show that Ni + ions substitute for Cu + ions sites. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)