Studies on spin Hamiltonian parameters and local structures for v⁴⁺ in BaCl₂-BaO-B₂O₃ glasses at various BaCl₂ compositions

ABSTRACT

The spin Hamiltonian parameters (SHPs), local structure and their composition dependences for impurity V⁴⁺ in xBaCl₂-(30–x)BaO-68B₂O₃-2V₂O₅ (x = 0, 2, 5, 10 mol%) glasses are theoretically analyzed by using the perturbation formulae of SHPs for octahedral 3d¹ clusters with tetragonal compression. The power law composition functions for the relevant quantities (covalency factor N, relative tetragonal compression ratio ρ, core polarisation constant κ and reduction factor H) suitably recur the experimental composition dependences of the SHPs for V⁴⁺. N shows the firstly fast and then slow decreasing trend, whereas ρ, κ and H exhibit the firstly fast and then slow increasing tendencies. The above composition dependences can be attributed to the modifications of the local structure and electron cloud distribution near the impurity V⁴⁺ due to the doped chlorine in participating in the formation and modification of the glasses network and mixed alkali effect.

KEYWORDS:

• BaCl₂-BaO-B₂O₃ glasses
• v⁴⁺
• Defect structures
• spin Hamiltonians

Acknowledgment

This work was financially supported by the National Natural Science Foundation of China Granted No. 11764028.

Disclosure statement

No potential conflict of interest was reported by the author(s).

Additional information

Funding

This work was supported by National Natural Science Foundation of China: [Grant Number 11764028].