Premium
Coordination Symmetry and Energy Spectrum Analysis of Fe 2+ in ZnS: Fe 2+ Crystals
Author(s) -
Zhao SangBo,
Wang HuiSu,
Xie JunKai
Publication year - 1989
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.2221510120
Subject(s) - symmetry (geometry) , coupling (piping) , crystal (programming language) , spin–orbit interaction , field (mathematics) , ion , distortion (music) , spectrum (functional analysis) , physics , atomic physics , spin (aerodynamics) , absorption spectroscopy , absorption (acoustics) , chemistry , crystallography , molecular physics , condensed matter physics , materials science , quantum mechanics , mathematics , geometry , optics , thermodynamics , pure mathematics , metallurgy , amplifier , optoelectronics , cmos , computer science , programming language
The T d symmetry complex model suggested by previous works is unable to give an unified theoretical analysis of the abundant absorption bands of Fe 2+ ions mixed into ZnS. Many bands cannot be assigned by this model. As an improvement, a C 2v model is used in the present paper by which, after considering the spin‐orbit coupling and the vibronic coupling, all of the bands (about 80) obtain a unified theoretical explanation; and also the shift direction of Fe 2+ due to the crystal site distortion is determined. In the calculation a simplified strong field scheme including spin‐orbit coupling is applied to establish the complete C 2v * (d 6 ) strong field matrices. All the related crystal field parameters are determined by the observed spin‐allowed bands. Thus the difficulty in low symmetry problems caused by the large number of parameters to be determined is removed and the prediction ability of the theory is well improved.