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Analysis of the Hyperfine Interactions of the Vacancy‐Iodine Complex in ZnSe
Author(s) -
Schrittenlacher W.
Publication year - 1984
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221220239
Subject(s) - hyperfine structure , zeeman effect , chemistry , quadrupole , atomic physics , physics , magnetic field , quantum mechanics
The ESR line multiplicity of iodine containing ZnSe single crystals obtained after optical excitation is analysed by means of a spin Hamiltonian. A good fit is obtained considering Zeeman energy, hyperfine energy, quadrupole energy, and (pseudo)‐nuclear Zeeman energy with S = ½ and I = 5/2. The fact that iodine consists to 100% of the isotope 127 I with I = \documentclass{article}\pagestyle{empty}\begin{document}$\frac{5}{2}$\end{document} and that the spectra are described by I = \documentclass{article}\pagestyle{empty}\begin{document}$\frac{5}{2}$\end{document} is proof that iodine is an integral part of the complex centre. This is the first time that a ligand hyperfine structure of A‐centres in ZnSe is observed and numerically analysed. Therefore, also the orientations of the different tensors in the spin Hamiltonian are determined with respect to the orientation of the complex centre. Besides the 127 I ligand hyperfine structure the 77 Se hyperfine and the 77 Se ligand hyperfine structure are observed. From the different hyperfine parameters the distribution of the hole wave function is derived and yields ≈ 90% localisation in the sp 3 ‐hybrid lone pair orbitals directed to the zinc vacancy.