The effect of disorder in the local lattice distortions on the EPR and optical spectroscopy parameters for a new Cr3+ defect center in Cr3+:Mg2+:LiNbO3

Yang, Ziyuan; Rudowicz, Czesław; Qin, Jieming

doi:10.1016/s0921-4526(02)00590-2

Cited by 110 publications

(71 citation statements)

References 48 publications

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“…The rest notations are conventional. In consideration of the covalence reduction eect for d n ions in crystals, we introduce a parameter N 2 to characterize the eect [15,16]. Thus, we have [1518]:…”

Section: Cdm Calculationmentioning

confidence: 99%

Investigations of the Optical Band Positions and Spin-Hamiltonian Parameters for the Rhombic VO²⁺Complex in CsCl Crystal

et al. 2014

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The optical band positions and spin-Hamiltonian parameters (g factors gi and hyperne structure constants Ai, where i = x, y, z) of the rhombic VO 2+ complex in CsCl crystal are calculated together from two theoretical methods. One is the complete diagonalization (of energy matrix) method and another is the perturbation theory method. The calculated results from the two methods coincide and are in reasonable agreement with the experimental values. So, both methods are eective in the explanations of optical and electron paramagnetic resonance (EPR) data for d 1 ions in crystals. The calculations also suggest that in d 1 rhombic octahedra the ground state is almost a pure |dxy state. This point is dierent from that of conjugate d 9 (e.g., Cu 2+ ) ions in rhombic octahedra where the ground state should be an admixture of ground and rst excited states.

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Section: Cdm Calculationmentioning

confidence: 99%

Investigations of the Optical Band Positions and Spin-Hamiltonian Parameters for the Rhombic VO²⁺Complex in CsCl Crystal

et al. 2014

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“…κ is the isotropic core polarization constant and κ the anisotropic one due to the rhombic distortion of the Cu 2+ center. For a 3d n ion in crystals with weak covalence, the average covalence reduction factor N is introduced to characterize the covalence reduction effect [17]; thus we have…”

Section: Calculationsmentioning

confidence: 99%

Theoretical Studies on the Local Structure and Electron Paramagnetic Resonance Parameters for Cu²⁺ Centers in TiO₂ with one Oxygen Vacancy Adjacent

Zheng

2013

Zeitschrift Für Naturforschung A

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Based on the defect model that the impurity Cu 2+ in TiO 2 on the octahedral Ti 4+ site is associated with one oxygen vacancy V O along the C 2 axis, the electron paramagnetic resonance (EPR) parameters, i. e., the g factors g i (i = x, y, z) and the hyperfine structure constants A i , of the Cu 2+ -V O center in TiO 2 are calculated by using the perturbation formulas of these parameters for a 3d 9 ion in a rhombically elongated octahedra. From this study, the impurity Cu 2+ is found to be away from V O by a distance ∆z (≈ 0.33Å) along the C 2 axis, meanwhile the four O 2− ions in the plane perpendicular to the C 2 axis may be shifted by ∆x (≈ 0.28Å) towards V O due to the electrostatic interaction between these ions and V O . The theoretical results based on the above local structure distortions show good agreement with the experimental data.

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“…For LiNbO 3 :Cr Li 3+ we have [12] two different distances between Li ion and two triangles of oxygen ions: upper and lower triangles [11]. The distance between Li and upper oxygen triangle ions R H1 is 2.238 Å and the same distance for the lower oxygen triangle R H2 is 2.068 Å [24].…”

Section: Perturbation Theorymentioning

confidence: 99%

Spin-Hamiltonian Parameters For Cr_Li ³⁺ Doped In LiNbO₃

Avram

Brik

Avram

et al. 2012

Annals of West University of Timisoara - Physics

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The effect of disorder in the local lattice distortions on the EPR and optical spectroscopy parameters for a new Cr3+ defect center in Cr3+:Mg2+:LiNbO3

Cited by 110 publications

References 48 publications

Investigations of the Optical Band Positions and Spin-Hamiltonian Parameters for the Rhombic VO²⁺Complex in CsCl Crystal

Investigations of the Optical Band Positions and Spin-Hamiltonian Parameters for the Rhombic VO²⁺Complex in CsCl Crystal

Theoretical Studies on the Local Structure and Electron Paramagnetic Resonance Parameters for Cu²⁺ Centers in TiO₂ with one Oxygen Vacancy Adjacent

Spin-Hamiltonian Parameters For Cr_Li ³⁺ Doped In LiNbO₃

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The effect of disorder in the local lattice distortions on the EPR and optical spectroscopy parameters for a new Cr3+ defect center in Cr3+:Mg2+:LiNbO3

Cited by 110 publications

References 48 publications

Investigations of the Optical Band Positions and Spin-Hamiltonian Parameters for the Rhombic VO2+Complex in CsCl Crystal

Investigations of the Optical Band Positions and Spin-Hamiltonian Parameters for the Rhombic VO2+Complex in CsCl Crystal

Theoretical Studies on the Local Structure and Electron Paramagnetic Resonance Parameters for Cu2+ Centers in TiO2 with one Oxygen Vacancy Adjacent

Spin-Hamiltonian Parameters For CrLi 3+ Doped In LiNbO3

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Investigations of the Optical Band Positions and Spin-Hamiltonian Parameters for the Rhombic VO²⁺Complex in CsCl Crystal

Investigations of the Optical Band Positions and Spin-Hamiltonian Parameters for the Rhombic VO²⁺Complex in CsCl Crystal

Theoretical Studies on the Local Structure and Electron Paramagnetic Resonance Parameters for Cu²⁺ Centers in TiO₂ with one Oxygen Vacancy Adjacent

Spin-Hamiltonian Parameters For Cr_Li ³⁺ Doped In LiNbO₃