Type I FA (Rb+, Cs+) and II FA (Li+, Na+) tunable laser activities and donor-acceptor properties of O and O− at KCl (001) surface: first principle calculations

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

doi:10.1016/s0022-3697(01)00224-4

Cited by 16 publications

(4 citation statements)

References 29 publications

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“…The results obtained in the present and previous studies suggest that an impurity ion seems not to play a significant role in the first stage of the relaxation process regardless of the type of impurity ion, and whether the impurity is on-or off-center with respect to the site symmetry. Recently, Shalabi et al have calculated adiabatic potentials of the F A centers in KCl:Na and KCl:Li using a first principle calculation [15]. Their results are similar to the present ones as far as the lowest potential curve from E x(y) (Q) to E s (Q) is concerned.…”

Section: Energy (Ev)supporting

confidence: 82%

De-excitation process and hot luminescence in the FA(type I) center in KCl:Na

Akiyama

Muramatsu

Baldacchini³

2008

Journal of Luminescence

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Section: Energy (Ev)supporting

confidence: 82%

De-excitation process and hot luminescence in the FA(type I) center in KCl:Na

Akiyama

Muramatsu

Baldacchini³

2008

Journal of Luminescence

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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 + and Cs + at the low‐coordination (100) and (110) surface sites of AgCl and AgBr.…”

Section: Resultsmentioning

confidence: 62%

“…A laser‐suitable defect should have relaxed excited states deep below the conduction band of the perfect crystal 4. To examine this issue, we consider the band structures of AgCl and AgBr surfaces, i.e., the positions of the one‐electron defect levels with respect to the perfect surface bands.…”

Section: Resultsmentioning

confidence: 99%

“…Useful F A2 center systems for laser applications are formed in only two host materials: KCl and RbCl 2. However, ab initio calculations of laser light generation at the ionic crystal surface are still lacking, and until recently the potential of F A center systems for useful laser action at the (100) and (110) surfaces of AgCl and AgBr has been ignored 4. We have therefore carried out a fairly extensive set of ab initio calculations in an attempt to examine the F A laser light generation at the (100) and (110) surfaces of AgCl and AgBr doped with Li + and Cs + impurities.…”

Section: Introductionmentioning

confidence: 99%

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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

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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FA1:La2+ and FA2:Sc2+ color center lasers and color image sensitization at the low coordination (001) surface of AgBr by ab initio calculations

Shalabi

Al‐Ansari

Al-Naimi

et al. 2004

Current Applied Physics

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Type I FA (Rb+, Cs+) and II FA (Li+, Na+) tunable laser activities and donor-acceptor properties of O and O− at KCl (001) surface: first principle calculations

Cited by 16 publications

References 29 publications

De-excitation process and hot luminescence in the FA(type I) center in KCl:Na

De-excitation process and hot luminescence in the FA(type I) center in KCl:Na

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

FA1:La2+ and FA2:Sc2+ color center lasers and color image sensitization at the low coordination (001) surface of AgBr by ab initio calculations

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Type I FA (Rb+, Cs+) and II FA (Li+, Na+) tunable laser activities and donor-acceptor properties of O and O− at KCl (001) surface: first principle calculations

Cited by 16 publications

References 29 publications

De-excitation process and hot luminescence in the FA(type I) center in KCl:Na

De-excitation process and hot luminescence in the FA(type I) center in KCl:Na

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

FA1:La2+ and FA2:Sc2+ color center lasers and color image sensitization at the low coordination (001) surface of AgBr by ab initio calculations

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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