Crystal Materials, D ~ 3-state Ion Configuration Epr Theory And Its Applications

The fine-spectra and EPR parameters of crystals doped with 3d3 transition ions (e.g. Cr3+,V2+) have been studied by many scholars. However, most of these works were based on spin-orbit(SO) coupling mechanism. In fact, in addition to the spin-orbit (SO) interaction, other magnetism interactions such as spin-spin(SS) and spin-other-orbit(SOO) interactions for the transition ions existed yet. In the present paper, on the basis of crystal field theory, for the first time the SS and SOO interactions have been included in Hamiltonian. The complete energy matrix has been obtained using Racah irreducible tensor method. The present calculation take into account all 120 states of the d3 configuration. Utilizing complete diagonalization method(CDM), the fine-spectra and full configuration eigenvectors have been obtained. Full configuration EPR theory are established using Spin-Hamiltonian(SH) theory. On basis of this, the contributions to fine spectra and EPR parameters from SS and SOO mechanism are studied, SO-SS-SOO combined coupling mechanism are discovered, and the contributions to EPR parameters from spin-doublets are studied. As applications Ruby(Al2O3:Cr3+), Emerald(Be3Al2(SiO3)6:Cr3+) and MgAl2O4:Cr3+ crystals have been studied systematically. The theoretical results are in good agreement with experimental findings.