Zero-field Splitting and Local Lattice Distortions for Fe3+ Ions in Some Ib-IIIb-VI2 Semiconductors

Author:

Zheng Wen-Chen123,Dong Hui-Ning14,Tang Sheng1,Zi Jian23

Affiliation:

1. Department of Material Science, Sichuan University, Chengdu 610064, P. R. China

2. International Centre for Materials Physics, Chinese Academy of Sciences, Shenyang 110016, P. R. China

3. Surface Physics Laboratory (National Key Lab), Fudan University, Shanghai 200433, P. R. China

4. Institute of Solid State Physics, Sichuan Normal University, Chengdu 610066, P. R. China

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.

Publisher

Walter de Gruyter GmbH

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics

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