| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1783869 | Chinese Journal of Physics | 2016 | 5 Pages |
•Zero field splitting parameters of Cr3+ in DGAM are calculated.•Superposition model is used.•Theoretical zero field splitting parameters are compared with the experimental values.•Theoretical result is similar to that from experiment.•The optical spectra with CFA package are in good match with the experimental ones.
Zero field splitting parameters (ZFSPs) D and E of Cr3+ ion doped d-gluconic acid monohydrate (DGAM), C6H12O7H2 O are determined using the superposition model. The theoretical ZFSPs for Cr3+ in DGAM single crystal are compared with the experimental values obtained by the electron paramagnetic resonance. There is a good agreement between the two. The energy band positions of the optical absorption spectra of Cr3+ in DGAM single crystal calculated with the crystal field analysis package are in good match with the experimental values.
