Studies of the local lattice distortions for the various rhombic Ru3+ centres in AgX (X = Cl and Br)

Hu, Xian-Fen; Wu, Shao-Yi; Li, Guoliang; Xu, Ya‐Qiong; Ding, Chang‐Chun

doi:10.1016/j.poly.2016.05.014

Cited by 6 publications

(3 citation statements)

References 32 publications

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“…On the basis of the cluster approach containing the ligand orbital and spin–orbit coupling contributions in view of strong covalence of the system due to the high valence state of V 4+ , the spin–orbit coupling coefficients and the orbital reduction factors can be expressed as [ 32–35 ]

\begin{matrix} lefttrue \\ ζ = N_{t} ({ζ_{d}}^{0} + {λ_{t}}^{2} {ζ_{p}}^{0} / 2), ζ' = {((), N_{t} N_{e})}^{1 / 2} ({ζ_{d}}^{0} - λ_{t} λ_{e} {ζ_{p}}^{0} / 2), \\ k = N_{t} (1 + {λ_{t}}^{2} / 2), k' = {((), N_{t} N_{e})}^{1 / 2} [1 - λ_{t} (λ_{e} + λ_{s} A) / 2] . \end{matrix}

…”

Section: Theoretical Formulasmentioning

confidence: 99%

“…Here, N t and N e are the normalization factors, and λ t and λ e (or λ s ) are the orbital admixture coefficients, which can be determined from the cluster approach [ 32–35 ] from the covalence factor N and the related group overlap integrals ( S dpt , S dpe , S ds , and A ).…”

Section: Theoretical Formulasmentioning

confidence: 99%

“…[ 36,37 ] From the reference V‐O distance R (≈1.9723 Å [ 24 ] ) in oxide glasses, one can calculate the group overlap integrals by using the Slater‐type self‐consistent field functions [ 38,39 ] as S dpt ≈ 0.0474, S dpe ≈ 0.1233, S ds ≈ 0.0993, and A ≈ 1.2841. By applying the cluster approach, [ 32–35 ] the relevant molecular orbital coefficients are obtained, and then, the quantities in Equation are determined and collected in Table 1. The corresponding N and the calculated g // at various x are displayed in Tables 1 and 2, respectively.…”

Section: Applicationsmentioning

confidence: 99%

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Studies on the local structure and spin Hamiltonian parameters for V⁴⁺ in Na₂O–PbO–Bi₂O₃–SiO₂ glass ceramics

Fan

Luo

et al. 2020

Magnetic Reson in Chemistry

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The local structure, d-d transition band, and spin Hamiltonian parameters (SHPs) are theoretically studied for the V 4+ probe in Na 2 O-PbO-Bi 2 O 3-SiO 2 (NPBS) glass ceramics containing V 2 O 5 dopant with various concentration x (0 ≤ x ≤ 5 mol%) by using the perturbation formulas of the SHPs for tetragonally compressed octahedral 3d 1 clusters. The first decreasing (or increasing) and then increasing (or decreasing) d-d transition band (= 10 D q) and hyperfine structure constants A // and A ⊥ (or g factors g // and g ⊥) with x can be suitably simulated with the similarly varying Fourier type concentration functions of cubic field parameter D q , covalence factor N, core polarization constant κ, and reduction factor H (or relative tetragonal compression ratio ρ), with the minima (or maxima) at the middle concentration x = 3 mol%, respectively. The above concentration variations of SHPs and the related quantities may originate from the modifications of local crystal field strength, tetragonal compression, and electron cloud distribution near the impurity V 4+ with x, corresponding to the highest [V 4+ ]/[V 5+ ] ratio at 3 mol%. Present studies would be helpful to explore novel sodium lead bismuth silicate glass ceramics by modifying the concentration of V 2 O 5 dopant.

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\begin{matrix} lefttrue \\ ζ = N_{t} ({ζ_{d}}^{0} + {λ_{t}}^{2} {ζ_{p}}^{0} / 2), ζ' = {((), N_{t} N_{e})}^{1 / 2} ({ζ_{d}}^{0} - λ_{t} λ_{e} {ζ_{p}}^{0} / 2), \\ k = N_{t} (1 + {λ_{t}}^{2} / 2), k' = {((), N_{t} N_{e})}^{1 / 2} [1 - λ_{t} (λ_{e} + λ_{s} A) / 2] . \end{matrix}

…”

Section: Theoretical Formulasmentioning

confidence: 99%

Section: Theoretical Formulasmentioning

confidence: 99%

Section: Applicationsmentioning

confidence: 99%

See 1 more Smart Citation

Studies on the local structure and spin Hamiltonian parameters for V⁴⁺ in Na₂O–PbO–Bi₂O₃–SiO₂ glass ceramics

Fan

Luo

et al. 2020

Magnetic Reson in Chemistry

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Monolith free-standing plasmonic PAN/Ag/AgX (X = Br, I) nanofiber mat as easily recoverable visible-light-driven photocatalyst

et al. 2019

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Investigations of defect structures for V4+ in CBPB glasses with distinct V2O5 contents

Wang

Jiang

et al. 2021

Journal of Non-Crystalline Solids

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Studies of the local lattice distortions for the various rhombic Ru3+ centres in AgX (X = Cl and Br)

Cited by 6 publications

References 32 publications

Studies on the local structure and spin Hamiltonian parameters for V⁴⁺ in Na₂O–PbO–Bi₂O₃–SiO₂ glass ceramics

Studies on the local structure and spin Hamiltonian parameters for V⁴⁺ in Na₂O–PbO–Bi₂O₃–SiO₂ glass ceramics

Monolith free-standing plasmonic PAN/Ag/AgX (X = Br, I) nanofiber mat as easily recoverable visible-light-driven photocatalyst

Investigations of defect structures for V4+ in CBPB glasses with distinct V2O5 contents

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Studies of the local lattice distortions for the various rhombic Ru3+ centres in AgX (X = Cl and Br)

Cited by 6 publications

References 32 publications

Studies on the local structure and spin Hamiltonian parameters for V4+ in Na2O–PbO–Bi2O3–SiO2 glass ceramics

Studies on the local structure and spin Hamiltonian parameters for V4+ in Na2O–PbO–Bi2O3–SiO2 glass ceramics

Monolith free-standing plasmonic PAN/Ag/AgX (X = Br, I) nanofiber mat as easily recoverable visible-light-driven photocatalyst

Investigations of defect structures for V4+ in CBPB glasses with distinct V2O5 contents

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Product

Resources

About

Studies on the local structure and spin Hamiltonian parameters for V⁴⁺ in Na₂O–PbO–Bi₂O₃–SiO₂ glass ceramics

Studies on the local structure and spin Hamiltonian parameters for V⁴⁺ in Na₂O–PbO–Bi₂O₃–SiO₂ glass ceramics