A theoretical analysis of zero-field splitting parameters of Cr3+ in ammonium lithium sulphate

作者：Kripal Ram^*; Pandey Sangita; Shukla Santwana

来源：Chemical Physics, 2010, 377(1-3): 6-9.

DOI：10.1016/j.chemphys.2010.08.007

• Crystal structure and symmetry
• Crystal and ligand fields
• Electron paramagnetic resonance

The superposition model has been used to investigate the crystal-field parameters of Cr3+ ion in ammonium lithium sulphate. Then, zero-field splitting (ZFS) parameters D and E are calculated by the perturbation formulae. These calculated values of ZFS parameters are compared to the experimental values obtained by electron paramagnetic resonance (EPR). Both the ZFS parameters D and E evaluated theoretically are found to be in good agreement with the experimental values, D-exp and E-exp. The results suggest that the Cr3+ ion occupies NH4+ substitutional site in ammonium lithium sulphate.

• 出版日期2010-11-25