Theoretical studies on the concentration dependences of optical spectra and spin Hamiltonian parameters for V4+ in CdO–SrO–B2O3–SiO2 glasses

Hong, Yu-Jing; Wu, Shao-Yi; Lyu, Jun-Rui; Wu, Hao; Dong, Hui

doi:10.1016/j.jpcs.2021.110480

Cited by 2 publications

(2 citation statements)

References 31 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…where Ā2 (R) and Ā4 (R) are the intrinsic parameters with the reference length R [31]. The radios Ā4 (R)/D q ≈ 3/4, Ā2 (R)/ Ā4 (R) ≈ 10.8 have been proved to be valid for d n ions in octahedral crystal-field environments for many glasses systems [9,32,33]. They can be reasonably applied in the present work.…”

Section: Calculationsmentioning

confidence: 67%

See 1 more Smart Citation

Theoretical studies on the g-factors and the local structure of W5+ ions in tungsten phosphate glasses

et al. 2023

View full text Add to dashboard Cite

In this work, we adopt the three-order perturbation formulae for g-factors (g//, g^) of d1 ions in the octahedral environment to calculate the g-factors of W5+ ions in tungsten phosphate glasses containing lithium (P2O5-Li2WO4-Li2O). In the light of the high valence state of the studied W5+ centers and hence the strong covalency of the studied octahedral [WO6]7- cluster, we consider the contributions to g-factors from the ligand orbital and spin-orbit (SO) coupling interactions based on the cluster approach. The required tetragonal crystal-field parameters are calculated from the local structure of W5+ ions based on the superposition model. According to the theoretical calculations, we find that the octahedral [WO6]7- clusters possess the tetragonally compressed distortion with a shorter W-O bond length (≈1.54 Å) and a longer one (≈2.26 Å) along C4 axis and four normal W-O bond length (≈1.94 Å) in the perpendicular plane, which infers that the W5+ ions are in the form of tungstyl ions (i.e., WO3-). Based on the local structural data, the theoretical values of g// and g^ agree well with the experimental values.

show abstract

Section: Calculationsmentioning

confidence: 67%

“…Firstly, only the contributions from the nearest neighbor oxygen ligands of the metallic W 5+ ion are considered from the cluster approach. Fortunately, the approach has been proved to be valid by many theoretical works on EPR parameters [8,9,28,29,[32][33][34][38][39][40].…”

Section: Discussionmentioning

confidence: 99%