Analysis of the ESR spectrum of manganese (II) in the layered compound Cd2P2Se6

Abstract

The Q-band and X-band ESR spectra of Mn2+ in the layered compound Cd2P2Se6 are reported. The Mn2+ is in a trigonal environment coordinated to six selenium atoms. The parameters of the spin hamiltonian have been determined and reasonable agreement is obtained between theory and experiment with g| = 2.01, g[perpendicular] = 2.05, |D| = 0.286 cm-1, |A| = 70.0 x 10-4 cm-1. The results of the ESR analysis are compared with previous studies of the analogous layered compound Cd2P2S6. The Mn(II) crystal-field splitting parameter D increases approximately eight-fold from that in the sulfide lattice. The exceptionally large crystal-field splitting is correlated with the layered structure of the lattice and the Mn---Se bond covalency. It is concluded that the dominant effect is that of the bond covalency.