EPR parameter g factors and defect structures for Ni + ions in CuGaSe 2 semiconductor

• Published in: Solid state communications Vol. 150; no. 43; pp. 2194 - 2196
• Main Authors: Zhang, Shun-Ru, Zhu, Shi-Fu, Zhao, Bei-Jun
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 2010
• Subjects: A. Semiconductor; C. Point defects; D. Crystal and ligand fields; E. Electron paramagnetic resonance; C. Point defects; D. Crystal and ligand fields; A. Semiconductor; E. Electron paramagnetic resonance
• ISSN: 0038-1098; 1879-2766
• DOI: 10.1016/j.ssc.2010.08.027

By using high-order perturbation formulas based on the two-spin–orbit (two-SO) coupling parameter mechanism and the superposition model, the g factors g and g ⊥ are calculated for Ni + ions (3d 9) in a tetragonal tetrahedral crystal. By comparing the theoretical predictions with the g i values measured by electron paramagnetic resonance (EPR), the defect structures described by the anion position parameter μ , the angle θ and the tilting angle τ are estimated for the Ni + centers in CuGaSe 2 . The results indicate that the g factors of Ni + centers can be reasonably explained on the basis of the defect model.