F2+ laser activity and photographic sensitization at the low coordinated surfaces of AgBr: ab initio calculations

Shalabi, A.S.; El-Essawy, T.F.; Assem, M.M.; Aal, S. Abdel; Mahdy, A.M. El

doi:10.1016/s0921-4526(01)01093-6

Cited by 16 publications

(4 citation statements)

References 58 publications

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“…only the halide species. Exciton band E X , F band E F , E X À E F and hE X À E F i for twelve alkali halides have been reported by Malghani and Smith, 35 and for LiH and LiF by Shalabi et al 36 The dependence of the Glasner-Tompkins relation on the dopant cation and surface coordination number (flat, edge and corner) of MgO, KCl and AgBr has also been reported by Shalabi et al 6,37 However no attempts have been made to clarify the dependence of the Glasner-Tompkins relation on Na þ and K þ dopants at the low-coordination (100) and (110) surface sites of AgCl and AgBr.…”

Section: Reorientation Efficiency and Optical Memoriesmentioning

confidence: 63%

The role of FA:K+ and FA:Na+ defects in laser light generation and color image formation at the (100) and (110) surface sites of AgCl and AgBr.

Shalabi

Al‐Ansari

Al-Naimi

et al. 2004

Phys. Chem. Chem. Phys.

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Section: Reorientation Efficiency and Optical Memoriesmentioning

confidence: 63%

The role of FA:K+ and FA:Na+ defects in laser light generation and color image formation at the (100) and (110) surface sites of AgCl and AgBr.

Shalabi

Al‐Ansari

Al-Naimi

et al. 2004

Phys. Chem. Chem. Phys.

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“…Exciton band E X , F band E F , and E X -E F for 12 alkali halides have been reported by Malghani and Smith [34], and for LiH and LiF by Shalabi et al [35]. The dependence of the Glasner-Tompkins relation on the dopant cation and surface coordination number (flat, edge, and corner) of MgO, KCl, and AgBr has also been reported by Shalabi et al [4,36]. However no attempts have been made to clarify the dependence of the Glasner-Tompkins relation on the impurity cations Li ϩ and Cs ϩ at the low-coordination (100) and (110) surface sites of AgCl and AgBr.…”

Section: Glasner-tompkins Relationmentioning

confidence: 66%

Theoretical study of laser light generation and color image formation:F_A1:Cs⁺andF_A2:Li⁺centers at the low coordination (100) and (110) surfaces of AgCl and AgBr

Shalabi

Kamel

Ammar

2005

Int J of Quantum Chemistry

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ABSTRACT:The F A1 :Cs ϩ and F A2 :Li ϩ color centers at the low coordination (100) and (110) surfaces of AgCl and AgBr play important roles in laser light generation and color image formation. Double-well potentials at these surfaces are investigated by using ab initio calculations. Quantum clusters were embedded in the simulated Coulomb fields that closely approximate the Madelung fields of the host surfaces, and ions that are the nearest neighbors to the F A Ϫ defect site are allowed to relax to equilibrium. The calculated Stokes shifts suggest that laser light generation is sensitive to the simultaneous effects of the vibrational coupling mode, the impurity cation, the coordination number of the surface ion, the lattice anion, and the choice of the basis set centered on the anion vacancy. An attempt has been made to explain these effects in terms of Madelung potential, electron affinity, and optical-optical conversion efficiency. All relaxed excited states of the defect-containing surfaces are deep below the lower edges of the conduction bands of the ground-state defect-free surfaces, suggesting that the F A (I):Cs ϩ and F A (II):Li ϩ centers are suitable laser defects. The dependence of orientational destruction, recording sensitivity, and exciton (energy) transfer on the empty cation; the coordination number of the surface ion; and the lattice anion is clarified. The Glasner-Tompkins empirical rule was generalized to include the impurity cation and the coordination number of the surface ion. As far as color image formation is concerned, the supersensitizer was found to increase the sensitizing capabilities of two primary dyes in the excited states by increasing the relative yield of quantum efficiency. The (110) surfaces of AgBr and AgCl were more sensitive than the corresponding (100) surfaces, and AgBr thin film was found to be more sensitive than that of AgCl. On the basis of quasi-Fermi levels, the difference in the sensitizing capabilities between the examined dyes in the excited states is determined.

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“…Exciton band E X , F-band E F , (E X − E F ) and <(E X − E F )> values for twelve alkali halides have been reported by Malghani and Smith [30] and for LiH and LiF by Shalabi et al [31]. The dependence of the Glasner-Tompkins relation on the impurity cation and the surface coordination number (flat, edge and corner) has also been reported for MgO, KCl and AgBr by Shalabi et al [11,32]. However, no attempt has been made to clarify the dependence of the GlasnerTompkins relation on the size of the impurity cation on the (100) surface of LiCl.…”

Section: Glasner-tompkins Relationmentioning

confidence: 67%

Role of cationic size in the optical properties of the LiCl crystal surface: theoretical study

et al. 2011

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The size of the cations (either Ca(2+), Sr(2+), Ga(+), or Au(+)) at the F(A1)-type color centers on the (100) surface of LiCl crystal plays an important role in the optical properties of this surface. In this work, double-well potentials at this surface were investigated using ab initio quantum mechanical methods. Quantum clusters were embedded in simulated Coulomb fields that closely approximate the Madelung fields of the host surface, and the ions that were the nearest neighbors to the F(A1) site were allowed to relax to equilibrium. The calculated Stokes-shifted optical transition bands, optical-optical conversion efficiency, and relaxed excited states of the defect-containing surface, as well as the orientational destruction of the color centers, recording sensitivity, exciton (energy) transfer, and the Glasner-Tompkins empirical relation were all found to be sensitive to the size of the dopant cation.

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F2+ laser activity and photographic sensitization at the low coordinated surfaces of AgBr: ab initio calculations

Cited by 16 publications

References 58 publications

The role of FA:K+ and FA:Na+ defects in laser light generation and color image formation at the (100) and (110) surface sites of AgCl and AgBr.

The role of FA:K+ and FA:Na+ defects in laser light generation and color image formation at the (100) and (110) surface sites of AgCl and AgBr.

Theoretical study of laser light generation and color image formation:F_A1:Cs⁺andF_A2:Li⁺centers at the low coordination (100) and (110) surfaces of AgCl and AgBr

Role of cationic size in the optical properties of the LiCl crystal surface: theoretical study

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F2+ laser activity and photographic sensitization at the low coordinated surfaces of AgBr: ab initio calculations

Cited by 16 publications

References 58 publications

The role of FA:K+ and FA:Na+ defects in laser light generation and color image formation at the (100) and (110) surface sites of AgCl and AgBr.

The role of FA:K+ and FA:Na+ defects in laser light generation and color image formation at the (100) and (110) surface sites of AgCl and AgBr.

Theoretical study of laser light generation and color image formation:FA1:Cs+andFA2:Li+centers at the low coordination (100) and (110) surfaces of AgCl and AgBr

Role of cationic size in the optical properties of the LiCl crystal surface: theoretical study

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Theoretical study of laser light generation and color image formation:F_A1:Cs⁺andF_A2:Li⁺centers at the low coordination (100) and (110) surfaces of AgCl and AgBr