Theoretical Studies of g Factors and Defect Structures for Cubic, Tetragonal, and Orthorhombic Fe+ C

• 作 者: LIU Hong-Gang WU Xiao-Xuan ZHE
• 机 构: Department of Material Science,Department of Physics,International Centre for Materials Physics
• 出 处: 理论物理通讯（英文版）
• 发表日期: 2004年期
• 关键词: crystal- and ligand-field theory electron paramagnetic resonance defect structur

The EPR g factors for cubic, tetragonal and orthorhombic Fe+ centers in alkali halides MX (M = Li, Na;X = F, Cl) are calculated from second-order perturbation formulas of g factors based on cluster approach for 3d7 ions in three symmetries. From calculations, the g factors of these Fe+ centers in MX crystals are reasonably explained and the defect structural data for the tetragonal and orthorhombic Fe+ centers are estimated. The results are discussed.