Ligand hyperfine spectra of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">Cu</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math>in AgCl

Paul, W. B.; Wang, S.-E.; Rowan, L. G.

doi:10.1103/physrevb.33.585

Cited by 2 publications

(3 citation statements)

References 3 publications

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“…1,2 For example, Cu 2+ ion in cubic M Cl (M = Ag, Na) crystals were studied by EPR technique. 3,4 It is found that in both crystals, Cu 2+ ions occupy the octahedral M sites and the symmetry of (CuCl 6 ) 4− clusters is tetragonal. 3,4 The spin-Hamiltonian (SH) parameters (g factors g , g ⊥ and hyperfine structure constants A , A ⊥ ) of these tetragonal Cu 2+ centers in both crystals were obtained from the studies.…”

Section: Introductionmentioning

confidence: 98%

“…3,4 It is found that in both crystals, Cu 2+ ions occupy the octahedral M sites and the symmetry of (CuCl 6 ) 4− clusters is tetragonal. 3,4 The spin-Hamiltonian (SH) parameters (g factors g , g ⊥ and hyperfine structure constants A , A ⊥ ) of these tetragonal Cu 2+ centers in both crystals were obtained from the studies. 3,4 No satisfactory and quantitative explanations based on the microscopic mechanisms for these SH parameters were made.…”

Section: Introductionmentioning

confidence: 98%

“…3,4 The spin-Hamiltonian (SH) parameters (g factors g , g ⊥ and hyperfine structure constants A , A ⊥ ) of these tetragonal Cu 2+ centers in both crystals were obtained from the studies. 3,4 No satisfactory and quantitative explanations based on the microscopic mechanisms for these SH parameters were made. Since the SH parameters of a 3d n impurity in crystals are sensitive to its immediate environment, the defect structures of these tetragonal Cu 2+ impurity centers by means of the theoretical studies of SH parameters were not given either.…”

Section: Introductionmentioning

confidence: 99%

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STUDIES OF THE SPIN-HAMILTONIAN PARAMETERS AND DEFECT STRUCTURES FOR Cu²⁺ IONS IN AgCl and NaCl CRYSTALS FROM A TWO-MECHANISM MODEL

Yang

Zheng

2010

Int. J. Mod. Phys. B

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In this paper, based on a two-mechanism model, we derive the complete high-order perturbation formulas of the spin-Hamiltonian (SH) parameters (g factors g , g ⊥ and hyperfine structure constants A , A ⊥ ) for 3d 9 ions in tetragonally elongated octahedral clusters. In the model, the contributions to SH parameters due to the crystal-field (CF) mechanism related to CF excited states and the charge-transfer (CT) mechanism related to CT exacted states (the CT mechanism is neglected in CF theory, which is widely used to study the SH parameters) are taken into account. From these formulas, the SH parameters of Cu 2+ ions in AgCl and NaCl crystals are calculated. It is found that for the exact explanation of SH parameters of (CuCl 6 ) 4− clusters in crystals, the contribution due to CT mechanism should be considered. The relative importance of CT mechanism (characterized by Q CT /Q CF , where Q = ∆g i or A(2) i , i = or ⊥) increases with the decreasing metal-ligand distance in (CuCl 6 ) 4− clusters. The causes are discussed. The signs of A i and the defect structures of Cu 2+ centers in AgCl and NaCl crystals are suggested from the calculations.

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