The role of artificial polarization in two different applications of the title color center, namely laser light generation and
adsorbate–substrate interactions, are investigated by using quantum mechanical CI-singles and DFT ab initio methods. Clusters of
variable sizes were embedded in the simulated Coulomb fields that closely approximate the Madelung fields of the host surface, and ions
that were the nearest neighbors to the defect site were allowed to relax to equilibrium. The sensitivity of the calculated transition energies
(Stokes shifts) of FA2:Ca2+ laser as well as related optical properties such as optical–optical conversion efficiency, relaxed excited states
of the defect-containing surface, orientational destruction of the point defect, recording sensitivity, and the Glasner–Tompkins empirical
rule, to the artificial polarization were examined. The dependance of NO and ON adsorption energies at RbCl (0 0 1) surface on artificial
polarization were also examined, and the results were explained in terms of electrostatic potential curves. The coadsorption of NO
molecules, and the charge transfer reactions between the NO molecules and the paramagnetic chlorine vacancy on RbCl surface were
considered. |
