Theoretical studies of the EPR spectra and local structures for Cu2+ and V4+ doped halo-borate glasses

Jin, Wei; Chu, Xiaohong; Ding, Chang‐Chun; Xu, Yonggen; Fu, Jia; Kuang, Min-Quan

doi:10.1016/j.mseb.2021.115245

Cited by 6 publications

(22 citation statements)

References 43 publications

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“…Based on the result in Ref. [16], the effect of halides on the properties of PbX 2 -PbO-B 2 O 3 (X = F, Br) doped with CuO glasses is consistently explained. Meanwhile, the optical alkalinity of the evaluated acidbase reactivity is calculated and analyzed uniformly.…”

Section: Decomposition Of Raman Spect On Glass Composition From Td Modelmentioning

confidence: 79%

“…10,14 It is worth mentioning that EPR has been proved highly sensitive to the paramagnetic signals of these TM impurities, which has been adopted to investigate the PbX 2 -PbO-B 2 O 3 glasses (X = F, Cl, and Br) doped with Cu 2+ (3d 9 ), 7,15 represented by the properties of g factors and hyperfine structure parameters, that is, g // > g ⊥ and A // > A ⊥ for Cu 2+ . Despite the investigation of PbCl 2 -PbO-B 2 O 3 -CuO glasses in the previous article 16 and the rough explanation based on simple g formulae with various adjustable molecular orbital coefficients α 2 , β 2 , and β 1 2 , 12,13 the local structural information of paramagnetic impurities Cu 2+ in PbX 2 -PbO-B 2 O 3 glasses (X = F and Br) need to be further studied, which is helpful to acknowledge the role for different TM dopants (Cu 2+ and V 4+ ) by united and compared study. Accordingly, the EPR spectra of PbF 2 -PbO-B 2 O 3 -CuO and PbBr 2 -PbO-B 2 O 3 -CuO glasses have been studied by the perturbation method.…”

Section: Decomposition Of Raman Spect On Glass Composition From Td Modelmentioning

confidence: 98%

“…Meanwhile, the optical alkalinity of the evaluated acidbase reactivity is calculated and analyzed uniformly. In order to make a comprehensive investigation, a comparable discussion is performed by considering the results from PbX 2 -PbO-B 2 O 3 glasses with Cu 2+ (present work) and V 4+ , 16 which is essential for the future applications of haloborate glasses.…”

Section: Decomposition Of Raman Spect On Glass Composition From Td Modelmentioning

confidence: 99%

“…More details can be found in. 16,17 Raman spectra were multiplied by a constant, thus the maximum value of spectral intensity equals to one.…”

Section: Experimental Partmentioning

confidence: 99%

“…This is because doping transition metal (TM) ions in materials usually can change the physical properties of the glasses, niobyl(3+) cation (NbO 3+ ), which enters deform dra (octahedra, tetragonal pyramids) with a co covalent bond to oxygen. 16…”

Section: Introductionmentioning

confidence: 99%

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A comparable study of the EPR spectra and local structures for 3d¹‐ and 3d⁹‐doped halo‐borate glasses

Ding

Chu

2021

Int J of Appl Glass Sci

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The spin Hamiltonian parameters (SHPs) of Cu 2+ -doped halo-glasses PbX 2 -PbO-B 2 O 3 (X = F and Br) are investigated by means of the perturbation method where the impact of the halides and the local structure of the dopants, that is, the [CuO 6 ] 10− clusters suffering the tetragonal elongation distortions, is involved.By comparing with the obtained results of the 3d 1 system (VO 2+ ), Cu 2+ and V 4+ are complementary state, which show opposite distortions. Furthermore, the d-d transition bands and the sign of anisotropy g factors also show whole opposite concentration variation trends with similar fluctuations due to the increase of non-bridging oxygen (NBO). The values of the optical basicity Λ th referring to the Pauling electronegativity, whose influence on E 1 and g factors are also discussed. The above correlations would be beneficial to analyze and predict the properties of analogous borate glasses and ceramics when doped with different transition metal ions. K E Y W O R D S 3d 9 (Cu 2+ ) center, 3d 1 (VO 2+ ) center, electron paramagnetic resonance, local structures, PbX 2 -PbO-B 2 O 3 How to cite this article: Ding C-C, Chu X-H. A comparable study of the EPR spectra and local structures for 3d 1 -and 3d 9 -doped halo-borate glasses.

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Section: Decomposition Of Raman Spect On Glass Composition From Td Modelmentioning

confidence: 79%

Section: Decomposition Of Raman Spect On Glass Composition From Td Modelmentioning

confidence: 98%

Section: Decomposition Of Raman Spect On Glass Composition From Td Modelmentioning

confidence: 99%

“…More details can be found in. 16,17 Raman spectra were multiplied by a constant, thus the maximum value of spectral intensity equals to one.…”

Section: Experimental Partmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

A comparable study of the EPR spectra and local structures for 3d¹‐ and 3d⁹‐doped halo‐borate glasses

Ding

Chu

2021

Int J of Appl Glass Sci

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Investigations on the local structure and the spin Hamiltonian parameters for Cu²⁺ in xCuO−(68−x)V₂O₅−32TeO₂ glasses

Liu

Yang

et al. 2022

Magnetic Reson in Chemistry

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The defect structure, spin Hamiltonian parameters (SHPs: anisotropic g factors g k and g ⊥ and the hyperfine structure constants A k and A ⊥ ), and their compositional dependence of Cu 2þ in xCuO À ð68 À xÞV 2 O 5 À 32TeO 2 (x = 5, 10, 20, 30 mol%) glasses are quantitatively analyzed by using the higher-order perturbation formula of octahedral complex with tetrahedral elongation distortion. Due to the Jahn-Teller effect, the ½CuO 6 10À group is subjected to tetragonal elongation distortion of varying degrees. D q , N, ρ, κ, and H show nonlinear changes with the concentrations of Cu 2þ . When x = 10 mol% CuO, the degree of distortion (ρ ≈ 0:1%) is the smallest; when x = 30 mol% CuO, the degree of distortion (ρ ≈ 15%) is the largest, which indicates that excessive distortion leads to the appearance of Z-axis oxygen vacancies and the coordination number of copper ions from six to four. The increasing tendency of the evaluated N and H reveals decreasing covalency of the whole glass system. Present theoretical studies would be useful to the explore the structural properties and optical applications of glass with different CuO concentrations. K E Y W O R D Selectron paramagnetic resonance, local structure, xCuO À ð68 À xÞV 2 O 5 À 32TeO 2 (x = 5, 10, 20, 30 mol%)

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Influence of Cu2+ ions on the electron paramagnetic resonance spectral investigations of calcium5-sulphosalicylate semi-organic single crystal

Sheela,

Kumar,

Shanmugam

2023

Indian J Phys

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Theoretical studies of the EPR spectra and local structures for Cu2+ and V4+ doped halo-borate glasses

Cited by 6 publications

References 43 publications

A comparable study of the EPR spectra and local structures for 3d¹‐ and 3d⁹‐doped halo‐borate glasses

A comparable study of the EPR spectra and local structures for 3d¹‐ and 3d⁹‐doped halo‐borate glasses

Investigations on the local structure and the spin Hamiltonian parameters for Cu²⁺ in xCuO−(68−x)V₂O₅−32TeO₂ glasses

Influence of Cu2+ ions on the electron paramagnetic resonance spectral investigations of calcium5-sulphosalicylate semi-organic single crystal

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Theoretical studies of the EPR spectra and local structures for Cu2+ and V4+ doped halo-borate glasses

Cited by 6 publications

References 43 publications

A comparable study of the EPR spectra and local structures for 3d1‐ and 3d9‐doped halo‐borate glasses

A comparable study of the EPR spectra and local structures for 3d1‐ and 3d9‐doped halo‐borate glasses

Investigations on the local structure and the spin Hamiltonian parameters for Cu2+ in xCuO−(68−x)V2O5−32TeO2 glasses

Influence of Cu2+ ions on the electron paramagnetic resonance spectral investigations of calcium5-sulphosalicylate semi-organic single crystal

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A comparable study of the EPR spectra and local structures for 3d¹‐ and 3d⁹‐doped halo‐borate glasses

A comparable study of the EPR spectra and local structures for 3d¹‐ and 3d⁹‐doped halo‐borate glasses

Investigations on the local structure and the spin Hamiltonian parameters for Cu²⁺ in xCuO−(68−x)V₂O₅−32TeO₂ glasses