Comparative study of EPR spectra and crystal field effect on local structure for (NiF6)4− coordination complex in Ni2+:ZnF2, NiF2, and Ni2+:MgF2 systems

• Published in: physica status solidi (b) Vol. 247; no. 2; pp. 416 - 421
• Main Authors: Wang, Su-Juan, Kuang, Xiao-Yu, Duan, Mei-Ling, Zhang, Cai-Xia, Lu, Cheng
• Format: Journal Article
• Language: English
• Published: Berlin WILEY-VCH Verlag 01.02.2010; WILEY‐VCH Verlag
• Subjects: 71.70.Ch; 76.30.Lh
• ISSN: 0370-1972; 1521-3951
• DOI: 10.1002/pssb.200945261

The present work employs the complete energy matrices for a d8 configuration ion in a D2h symmetry ligand field at first time to study the relationship between electron paramagnetic resonance (EPR) spectra and local structure of (NiF6)4− coordination complex in Ni2+:ZnF2, NiF2, and Ni2+:MgF2 systems, respectively. The crystal field effect on the local structure of the three systems is investigated contrastively by calculating the values of $\left| {{{\partial D'} \mathord{\left/ {\vphantom {{\partial D'} {\partial \theta }}} \right. \kern-\nulldelimiterspace} {\partial \theta }}} \right|$ and $\left| {{{\partial E'} \mathord{\left/ {\vphantom {{\partial E'} {\partial \theta }}} \right. \kern-\nulldelimiterspace} {\partial \theta }}} \right|$ around the (NiF6)4− coordination complex. Moreover, the theoretical values of the g factors of Ni2+:ZnF2, NiF2, and Ni2+:MgF2 systems are reported. Simultaneously, the calculated energy levels are in good agreement with the experimental absorption spectra.