A study of spin-Hamiltonian parameters for Hf3+ ions in orthophosphate MPO4 (M=Sc, Lu, Y) crystals

Investigations of spin‐Hamiltonian parameters and defect structures for two tetragonal Cu2+ centers in KTaO3 crystal

“…The relations between the conventional CF parameters Dq, Ds and Dt and those in the Wybourne notation B kl are provided in [20,21]. For a 3d n ion in weak covalence crystals, for simplicity, an average covalence reduction factor N 2 is introduced to characterize the covalence reduction effect [22][23][24][25], thus we have…”

“…The CF parameters are often calculated from the semi-empirical superposition model [27,28]. The model assumes that the CF parameters are represented by sums of independent contributions from isolated neighboring ions (i.e., ligands) of ML n -unit in crystals and has shown to be approximately successful in studying CF parameters of 4f n and 3d n ions [7][8][9]19,22,24,25,27,28]. From the model, for both Cu 2+ centers in KTaO 3 , we have…”

Studies of the tetragonal distortion due to Jahn–Teller effect for the Cu2+ centres in trigonal ZnMF6·6H2O (M = Si, Ti, Zr) crystals from the calculations of spin‐Hamiltonian parameters

“…In consideration of the covalency effects for 3d n clusters in crystals, the parameters ζ and P are smaller than the corresponding parameters in the free ion and the factor k < 1 [20][21][22][23]. For simplicity, an average covalency reduction factor N 2 is introduced to characterize the effect; thus, we have [20][21][22][23] …”

“…For simplicity, an average covalency reduction factor N 2 is introduced to characterize the effect; thus, we have [20][21][22][23] …”

Theoretical investigations of spin‐Hamiltonian parameters for Ru3+ ions in rutile (TiO2) crystal

“…So A i obtained from EPR measurements are actually the absolute values [19,[27][28][29]. According to the above calculations, we suggest that for TiO 2 :Ru 3+ , 99 A z and…”