Jahn–Teller effect on the [TiF4F4Fint]6−(C4v) and [NiF4F4Fint]7−(C4v) clusters embedded into SrF2 crystals

Уланов, В. А.; Zhiteitcev, E.R.; Varlamov, A.G.

doi:10.1016/j.molstruc.2007.01.058

Cited by 2 publications

(1 citation statement)

References 10 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Many paramagnetic ions (such as Cu 2+ [1][2][3][4], Ag 2+ [5], Ni + [6,7], Cr 2+ [8], Mn 2+ [9], Fe 3+ [10,11], Ce 3+ [12], Ti 3+ [13]) have been introduced into cubic fluorite-type crystals to study the local structure of the host lattice and the electronic properties of paramagnetic impurities in these crystals by means of electron paramagnetic resonance (EPR) technique, which would be useful to understand the properties (such as optical and luminescent properties) of crystals containing ions. Based on the EPR experiments and theoretical studies, it is found that the local structures around many paramagnetic centers in these crystals are of tetragonal symmetry or orthorhombic symmetry [8].…”

Section: Introductionmentioning

confidence: 99%

Theoretical Studies on the Local Structure and Spin Hamiltonian Parameters for Single Cu²⁺Ion in BaF₂

et al. 2016

View full text Add to dashboard Cite

The spin Hamiltonian parameters (g-factors and the hyperfine structure constants) and local structure are theoretically studied for single Cu 2+ ion in BaF2 from the high-order perturbation formulae of these parameters for 3d9 ions in tetragonally elongated octahedra. In the calculations, the ligand orbital and spin-orbit coupling of the impurity Cu 2+ are taken into account, based on the cluster approach. Due to the Jahn-Teller effect and size mismatching substitution, the impurity Cu 2+ is found to be located at a distance of about 0.2 Å from the nearest fluorine plane. The signs of the hyperfine structure constants A and A ⊥ are suggested. The theoretical spin Hamiltonian parameters based on the above local structure are in good agreement with the observed values.

show abstract

Section: Introductionmentioning

confidence: 99%

Theoretical Studies on the Local Structure and Spin Hamiltonian Parameters for Single Cu²⁺Ion in BaF₂

et al. 2016

View full text Add to dashboard Cite

show abstract

Investigation of Spin Hamiltonian Parameters and Defect Structure of Cu2+ In Srcl2 Crystals

Lin

2016

J Appl Spectrosc

View full text Add to dashboard Cite

Jahn–Teller effect on the [TiF4F4Fint]6−(C4v) and [NiF4F4Fint]7−(C4v) clusters embedded into SrF2 crystals

Cited by 2 publications

References 10 publications

Theoretical Studies on the Local Structure and Spin Hamiltonian Parameters for Single Cu²⁺Ion in BaF₂

Theoretical Studies on the Local Structure and Spin Hamiltonian Parameters for Single Cu²⁺Ion in BaF₂

Investigation of Spin Hamiltonian Parameters and Defect Structure of Cu2+ In Srcl2 Crystals

Contact Info

Product

Resources

About

Jahn–Teller effect on the [TiF4F4Fint]6−(C4v) and [NiF4F4Fint]7−(C4v) clusters embedded into SrF2 crystals

Cited by 2 publications

References 10 publications

Theoretical Studies on the Local Structure and Spin Hamiltonian Parameters for Single Cu2+Ion in BaF2

Theoretical Studies on the Local Structure and Spin Hamiltonian Parameters for Single Cu2+Ion in BaF2

Investigation of Spin Hamiltonian Parameters and Defect Structure of Cu2+ In Srcl2 Crystals

Contact Info

Product

Resources

About

Theoretical Studies on the Local Structure and Spin Hamiltonian Parameters for Single Cu²⁺Ion in BaF₂

Theoretical Studies on the Local Structure and Spin Hamiltonian Parameters for Single Cu²⁺Ion in BaF₂