Investigations of the local structure and the g factors for the tetragonal Er3+ center in KMgF3

Theoretical investigation of local lattice structure of the tetragonal FeF5O cluster in KMgF3:Fe3+ crystal

“…where R 0 = 1.994Å [23,24], which is the Mg 2+ -F − bond length of KMgF 3 . Based on Curie's covalence theory [25], the Racah parameters B and C, Trees correction α, seniority correction β and the spin-orbit coupling coefficient ζ depend on the free-ion parameters B 0 , C 0 , α 0 , β 0 and ζ 0 .…”

Theoretical investigations of electron paramagnetic resonancegfactors in ZnSe:Ti2+, CdTe:Ti2+and ZnSe:V3+crystals

“…where r i and r h denote the ionic radii of the impurity and the replaced host ion, respectively. For the three doped crystals, r i (V 3+ ) = 0.64 Å , r i (Ti 2+ ) = 0.92 Å (Weast, 1989), r h (Zn 2+ ) = 0.6 Å and r h (Cd 2+ ) = 0.78 Å (Wu & Dong, 2005). The Zn-Se and Cd-Te bond lengths are 2.45 and 2.805 Å (Hwang et al, 1992;Du, 2008…”

“…Generally, R i differs from the corresponding metal-ligand distance R h in the host crystals because the radius of the impurity ion differs from that of the replaced ion. The distance R i can be estimated from the empirical formula (Wu & Dong, 2005)…”