Theoretical analysis of spin-Hamiltonian parameters for the rhombic Cu2+ centres in CuGaSe2 crystals |
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Authors: | Wen-Lin Feng Wen-Chen Zheng |
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Affiliation: | 1. Department of Applied Physics, Chongqing University of Technology, Chongqing, China;2. Chongqing Key Laboratory of Time Grating Sensing &3. Advanced Testing Technology, Chongqing, China;4. International Centre for Materials Physics, Chinese Academy of Sciences, Shenyang, China;5. Department of Material Science, Sichuan University, Chengdu, China |
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Abstract: | The spin-Hamiltonian parameters (g factors gi and hyperfine structure constants Ai, where i = x, y, z) of the rhombic Cu2+ centres in the CuGaSe2 crystal are determined from the high-order perturbation formulae based on the cluster approach (sometimes also called two-spin-orbit parameter model). In the studies, some parameters in the analysis of g factors for the same centre within the tetragonal symmetry approximation in the previous paper are used, and the parameter due to the perturbation of rhombic crystal field caused by a charge compensator at, e.g., [110] direction are considered. As the result of a fitting process, the determined spin-Hamiltonian parameters are in reasonable agreement with the experimental values. The results are discussed. |
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Keywords: | electron paramagnetic resonance spin-Hamiltonian parameters crystal- and ligand-field theory Cu2+ CuGaSe2 |
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