The EPR Zero-Field Splitting D and its Pressure and Temperature Dependence for Trigonal Mn²⁺ Centers in [Zn(H₂O)₆](BF₄)₂:Mn²⁺ Crystal

Abstract

The EPR zero-field splitting D (= b 0 2 ) and its pressure and temperature dependence for trigonal Mn 2+ centers in low and room temperature phases in [Zn(H 2 O) 6 ](BF 4 ) 2 : Mn 2+ crystal are studied by a high-order perturbation formula based on the dominant spin-orbit coupling mechanism. From the studies, the local trigonal distortion angles, the local angular compressibilities and the local angular thermal expansion coefficients for Mn 2+ centers in both phases of the [Zn(H 2 O) 6 ](BF 4 ) 2 crystal are estimated. The results are discussed.