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In this work, the g factors, d-d transition band, local distortion, and their concentration dependences for impurity V4+ in 20Li2O-20PbO-45B2O3-(15 - x) P2O5:V2O5 (0 ≤ x ≤ 2.5 mol%) glasses are theoretically investigated by using perturbation formulas of g factors for a tetragonally compressed octahedral 3d1 cluster. In the light of the cubic polynomial concentration functions for cubic field parameter Dq, covalency factor N, and relative tetragonal compression ratio ρ, the calculated concentration dependences of d-d transition band and g factors for V4+ show good agreement with the experimental data. With increasing x, N (≈0.7682-0.8165) displays the monotonously increasing trend, whereas ρ (≈6.5-4.2%) and Dq (≈1504.9-1481.1 cm-1) exhibit the decreasing tendencies. The above concentration dependences can be ascribed to the modifications of the V4+-O2- bonding and orbital admixtures around the impurity V4+ due to the effects of V2O5 doping on the stability of the glass network, the strength of local crystal fields, and the electron cloud distribution. [ABSTRACT FROM AUTHOR]

In this work, the g factors, d-d transition band, local distortion, and their concentration dependences for impurity V 4+ in 20Li 2 O-20PbO-45B 2 O 3 -(15 - x)P 2 O 5 :V 2 O 5 (0 ≤ x ≤ 2.5 mol%) glasses are theoretically investigated by using perturbation formulas of g factors for a tetragonally compressed octahedral 3d 1 cluster. In the light of the cubic polynomial concentration functions for cubic field parameter D q , covalency factor N, and relative tetragonal compression ratio ρ, the calculated concentration dependences of d-d transition band and g factors for V 4+ show good agreement with the experimental data. With increasing x, N (≈0.7682-0.8165) displays the monotonously increasing trend, whereas ρ (≈6.5-4.2%) and D q (≈1504.9-1481.1 cm -1 ) exhibit the decreasing tendencies. The above concentration dependences can be ascribed to the modifications of the V 4+ -O 2- bonding and orbital admixtures around the impurity V 4+ due to the effects of V 2 O 5 doping on the stability of the glass network, the strength of local crystal fields, and the electron cloud distribution., (© 2021 John Wiley & Sons, Ltd.)