A theoretical analysis of zero-field splitting parameters of Mn2+ doped dicadmium diammonium sulfate Cd-2(NH4)(2)(SO4)(3) single crystal

作者：Acikgoz Muhammed^*

来源：Journal of Alloys and Compounds, 2011, 509(40): 9572-9576.

DOI：10.1016/j.jallcom.2011.07.071

• Spin Hamiltonians
• Crystal structure
• Crystal and ligand fields
• Mn2+

The superposition model (SPM) and crystallographic data are utilized to determine the zero-field splitting (ZFS) parameters (ZFSPs) for Mn2+ ions in Cd-2(NH4)(2)(SO4)(3) single crystal, assuming that the Mn2+ ions locate at either Cd2+ or NH4+ site. The SPM results has been verified by the fourth-order perturbation formulae analysis. Experimental suggestions about Mn2+ ions substituting at Cd2+ sites have been confirmed theoretically for the first time.

• 出版日期2011-10-6