Spectrum structure and g factor of electron paramagnetic resonance of LiCoO2 crystal doped with Ni
掺入Ni元素的LiCoO2晶体光谱结构及电子顺磁共振g因子

In the weak field scheme, the complete diagonalizing Hamiltonian matrices and the constants of crystal structure and g factor of electron paramagnetic resonance are derived for 3d~4/3d~6 ions configuration in the trigonal symmetry in terms of Racah's irreducible tensor operator method. The ground-state energy levels and the constants of crystal structure and g factor of electron paramagnetic resonance of the Co~ 3+ in LiCoO-2 and LiCoO-2:Ni crystals are studied. The spin singlets and triplet of the ground-state energy levels of the Co~ 3+ in LiCoO-2 and LiCoO-2:Ni crystals are taken into consideration in the calculation and application of the crystal-field energy of 3d~4/3d~6. The changes of the constants of local structure, which are the causes of the changes of the ground-state energy levels of the Co~ 3+ , and the values of g factor of electron paramagnetic resonance of Co~ 3+ in LiCoO-2 and LiCoO-2:Ni crystals are also studied. The theoretical results are in good agreement with the experimental observations.