Studies of the Local Distortions for Cu2+ in Ba2Zn(HCOO)6·4H2O Single Crystal

Zhang, H. M.; Chen, B. J.; Feng, Chang Jie; Xiao, Wenbo

doi:10.1007/s00723-019-01145-5

Cited by 6 publications

(1 citation statement)

References 51 publications

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“…Therefore, the observed Δg (≈ 0.32) and δg (≈ 0.049) are reasonably attributed to the axial bond angle distortion Δα (= α 0 -α ≈ 2.5 , here α 0 = 45 for a perfect octahedron) and the planar bond angle distortion δθ (= θ 0 -θ ≈ 11. 19,31,56,62 reveal that signs of the hyperfine structure constants for A x , A y are positive, and for A z is negative of the Cu 2+ centers under rhombically elongated octahedron. The negative sign of A z is mainly due to the larger magnitudes of the negative terms related to (κ -4a 2 /7) than those of the positive ones related to the anisotropic contributions.…”

Section: Discussionmentioning

confidence: 94%

Theoretical studies on the local structure and spin Hamiltonian parameters for Cu²⁺ ions in LiTaO₃ crystal

Chen,

Tang,

Cai

et al. 2023

Magnetic Reson in Chemistry

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The local structure and spin Hamiltonian parameters (SHPs) g factors (gx, gy, gz) and the hyperfine structure constants (Ax, Ay, Az) for Cu2+ doped in the LiTaO3 crystal are theoretically investigated by the perturbation formulas for a 3d9 ion under rhombically elongated octahedral based on the cluster approach. The impurity Cu2+ was assumed to occupy the host trigonally‐distorted octahedral Li+ site and experience the Jahn–Teller (JT) distortion from the host trigonal octahedral [TaO6]10− to the impurity rhombically elongated octahedral [CuO6]10−. Based on the calculations, the impurity‐ligand bond lengths parallel and perpendicular to the C2‐axis are found to be R||(≈ 2.305 Å) and R⊥ (≈ 2.112 Å) for the studied [CuO6]10− cluster, with the planar bond angle θ (≈ 78.2°). Meanwhile, the ground‐state wave function for Cu2+ center in LiTaO3 was also obtained. The calculated SHPs based on the above local lattice distortions agree well with the experimental data, and the results are discussed.

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Section: Discussionmentioning

confidence: 94%

Theoretical studies on the local structure and spin Hamiltonian parameters for Cu²⁺ ions in LiTaO₃ crystal

Chen,

Tang,

Cai

et al. 2023

Magnetic Reson in Chemistry

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Investigation of Optical Spectra and Electron Paramagnetic Resonance Parameters for Cu2+ Ions in LiNbO3 Crystal

2022

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Synthesis, characterization and optical studies of mixed alkali phosphate glasses containing MnO2

Huang

Jiang

2022

Chinese Journal of Physics

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Studies of the Local Distortions for Cu2+ in Ba2Zn(HCOO)6·4H2O Single Crystal

Cited by 6 publications

References 51 publications

Theoretical studies on the local structure and spin Hamiltonian parameters for Cu²⁺ ions in LiTaO₃ crystal

Theoretical studies on the local structure and spin Hamiltonian parameters for Cu²⁺ ions in LiTaO₃ crystal

Investigation of Optical Spectra and Electron Paramagnetic Resonance Parameters for Cu2+ Ions in LiNbO3 Crystal

Synthesis, characterization and optical studies of mixed alkali phosphate glasses containing MnO2

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Studies of the Local Distortions for Cu2+ in Ba2Zn(HCOO)6·4H2O Single Crystal

Cited by 6 publications

References 51 publications

Theoretical studies on the local structure and spin Hamiltonian parameters for Cu2+ ions in LiTaO3 crystal

Theoretical studies on the local structure and spin Hamiltonian parameters for Cu2+ ions in LiTaO3 crystal

Investigation of Optical Spectra and Electron Paramagnetic Resonance Parameters for Cu2+ Ions in LiNbO3 Crystal

Synthesis, characterization and optical studies of mixed alkali phosphate glasses containing MnO2

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Product

Resources

About

Theoretical studies on the local structure and spin Hamiltonian parameters for Cu²⁺ ions in LiTaO₃ crystal

Theoretical studies on the local structure and spin Hamiltonian parameters for Cu²⁺ ions in LiTaO₃ crystal