Abstract
The EPR zero-field splitting D for Fe3+ ions in some Ib-IIIb-VI2 semiconductors is calculated with the superposition model. The calculated D values, when using the local rotation angles τ (Fe3+) for Fe3+ in CuGaS2 and AgGaS2 crystals, are consistent with the observed values, whereas for Fe3+ in CuAlS2 crystal they are not. The calculated results are discussed. The local lattice distortions except the local rotation angles τ for Fe3+ in CuAlS2 are suggested.
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