EPR and optical absorption study of Cu2+-doped lithium potassium sulphate single crystals

Kripal, Ram; Bajpai, Manisha; Maurya, Manju; Govind, Har

doi:10.1016/j.physb.2008.06.019

Cited by 13 publications

(8 citation statements)

References 48 publications

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“…Using r À3 h i≈ 8:252 a.u. 27 and χ ≈ À3.12 a.u. 35 for Cu 2+ ion, the value κ ≈ 0.23 may be estimated.…”

Section: Calculationsmentioning

confidence: 98%

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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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“…Using r À3 h i≈ 8:252 a.u. 27 and χ ≈ À3.12 a.u. 35 for Cu 2+ ion, the value κ ≈ 0.23 may be estimated.…”

Section: Calculationsmentioning

confidence: 98%

“…Nevertheless, the higher cubic orbital triplet 2 T 2g would be split into three singlets 2 B 1g (ζ), 2 B 2g (η), and 2 B 3g (ξ) (see Figure 2). [26][27][28] Since the states 2 A 1g (θ) and 2 A 1g '(ε) belong to the same representation of rhombic symmetry group, 29,30 i.e.…”

Section: Calculationsmentioning

confidence: 99%

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 electron paramagnetic resonance (EPR) technique is widely used to determine the symmetry of the crystal field produced by ligands around magnetic ions in host lattices. It provides a detailed description of the ground state of paramagnetic ions and the nature of bonding between the metal ion and its various ligands [1][2][3][4][5][6]. An optical absorption study provides the energy level structure of the metal ion in the crystal.…”

Section: Introductionmentioning

confidence: 99%

An electron magnetic resonance and optical study of Cu²⁺-doped zinc ammonium phosphate hexahydrate single crystals

Kripal¹,

Misra²

2012

Phys. Scr.

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An electron paramagnetic resonance (EPR) study of Cu2+ ions doped in zinc ammonium phosphate hexahydrate (ZAPH) (ZnNH4PO4·6H2O) single crystals at liquid nitrogen temperature (77 K) is reported here. EPR spectra are fitted to a spin Hamiltonian of orthorhombic symmetry with parameters of Cu2+: site I, gx=2.1135, gy=2.2216, gz=2.3937 (±0.0002) and Ax=37, Ay=47, Az=70 (±2×10−4 cm−1); site II, gx=2.0845, gy=2.1995, gz=2.3777 (±0.0002) and Ax=39, Ay=48, Az=73 (±2×10−4 cm−1). Copper enters the lattice substitutionally at two magnetically inequivalent sites. The ground state wave function of the Cu2+ ion in this lattice is determined to be predominantly |x2−y2⟩. The optical absorption spectra of the Cu2+ ion doped in ZAPH single crystals at room temperature are also recorded and the bands observed are assigned. Finally, from the optical and EPR data, the nature of the bonding in the complex is discussed.

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“…The EPR and optical absorption study of Cu 2+ doped lithium potassium sulphate single crystals show that the copper enters the lattice substitutionally and is trapped at two magnetically in equivalent sites [46]. Kripal et al [47] reported the EPR and optical absorption studies of copper ions in diglycine calcium chloride tetrahydrate.…”

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confidence: 99%

Crystal Structure and EPR Studies of Potassium Catena-µ-dichromatodiammine cuprate and Dynamic Behaviour of Cu(II) Doped Potassium Catena-µ-dichlorodiammine-cadmium(II)

Vijayaraj¹,

Jawahar²,

Anantharam³

et al. 2017

Asian J. Chem.

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Octahedral or near octahedral complexes have been subjected to intense investigation, due to their role in understanding the different models of Jahn Teller distortions, viz., dynamic, static and tunneling [1-9]. Most of the copper complexes exhibit tetragonally elongated octahedral geometries, due to J-T vibronic coupling. The compressed geometry observed in a few cases, is in fact, due to the ligand field or steric strain [10]. Intrinsic J-T coupling of Cu 2+ ion completes with the crystal lattice strain effect and results in dynamic J-T property [10-15]. Temperature dependent EPR spectroscopy has been employed to study such dynamic J-T behaviour [16]. Dynamic J-T effect, called as pseudo J-T effect is observed in Cu 2+ ions, present in a site of lower symmetry [17,18]. Such dynamic behaviour is explained using different theoretical models. Complexes, reported to have tetragonally compressed geometry and d z 2 ground state, were found to result from the dynamic equilibrium between the long and intermediate bonds of the tetragonally elongated octahedra with d x 2-y 2 ground state, leading to plasticity [14]. Under the fluxional model [2], the observed stereochemistry at a particular temperature is determined by the relative thermal population of the three available potential energy wells. Each of the well corresponds to an elongated octahedron, misaligned in three mutually perpendicular directions. Hopping

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EPR and optical absorption study of Cu2+-doped lithium potassium sulphate single crystals

Cited by 13 publications

References 48 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

An electron magnetic resonance and optical study of Cu²⁺-doped zinc ammonium phosphate hexahydrate single crystals

Crystal Structure and EPR Studies of Potassium Catena-µ-dichromatodiammine cuprate and Dynamic Behaviour of Cu(II) Doped Potassium Catena-µ-dichlorodiammine-cadmium(II)

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EPR and optical absorption study of Cu2+-doped lithium potassium sulphate single crystals

Cited by 13 publications

References 48 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

An electron magnetic resonance and optical study of Cu2+-doped zinc ammonium phosphate hexahydrate single crystals

Crystal Structure and EPR Studies of Potassium Catena-µ-dichromatodiammine cuprate and Dynamic Behaviour of Cu(II) Doped Potassium Catena-µ-dichlorodiammine-cadmium(II)

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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

An electron magnetic resonance and optical study of Cu²⁺-doped zinc ammonium phosphate hexahydrate single crystals