在Cs_2CdX_4(X=F,Cl):Cr^(3+)四角晶位中配体对零场分裂和g因子的影响

Contribution of Ligands to the Zero-Field Splittings and g Factors for the Tetragonal Cr^(3+) Centers in Cs_2CdX_4(X=F,Cl): Cr^(3+) Crystals

用双自旋 轨道耦合模型和半经验的分子轨道法研究了Cr3 + 在Cs2 CdX4 (X =F ,Cl)四角晶位中的EPR零场分裂和 g 因子 .结果表明 ,不应忽略配体Cl对Cr3 + 的零场分裂和 g因子的贡献 .

The EPR parameters D and the g factors of the tetragonal Cr 3+ centers in Cs 2CdX 4(X=F,Cl):Cr 3+ crystals are studed by means of a double spin orbit coupling parameter mode l and a semiempirial molecular orbit method. The calculated results show that th e contribution of the ligands should be considered.