An investigation on the temperature dependent zero-field splitting (ZFS) of Mn2+ doped Cs2NaLaCl6

The temperature dependent zero-field splitting parameters (ZFSPs) for Mn2+ doped Cs2NaLaCl6 are analyzed theoretically. Assuming two different structural distortions models we have concerned the effect of temperature on ZFSPs for two structurally different Mn2+ centers. Analyses have been carried out based on the thermal expansion part (TE) of ZFSPs. Remarkable structural changes taking place in Mn2+ doped Cs2NaLaCl6 with lowering the temperature have been demonstrated. Good agreement between the theoretical and experimental results of ZFSPs shows that the models revealing the local structural distortions around the Mn2+ centers are reasonable. Some anomalies have been found in the temperature dependence of the ZFSPs and the temperature variation of the structural distortions. (C) 2015 Elsevier B.V. All rights reserved.