Studies of EPR parameters for Mn⁵⁺-doped Ca₂(MO₄)Cl (M = P, As, V) crystals from a two-mechanism model

¹ Department of Physics, Civil Aviation Flight University of China, Guanghan 618307, P.R. China
² Department of Material Science, Sichuan University, Chengdu 610064, P.R. China

^a e-mail: zhengwc1@163.com

Received: 9 August 2014
Revised: 18 September 2014
Accepted: 3 October 2014
Published online: 12 December 2014

Abstract

The EPR parameters (zero-field splitting D and g-factors g_//, g_⊥) of Mn⁵⁺-doped solid state laser materials Ca₂(MO₄)Cl (M = P, As, V) are calculated from the complete high-order perturbation formulas of EPR parameters based on the two-mechanism model for 3d² ions in a approximately tetragonal tetrahedron. The model includes the contributions from both the crystal-field (CF) mechanism and the charge-transfer (CT) mechanism (the latter is neglected in crystal field theory). The calculated results suggest that the contribution to EPR parameters due to CT mechanism is important. So, in the cases of high valence state 3dⁿ ions in crystals, the reasonable explanation of EPR parameters should take both CF and CT mechanisms into account.