MOLECULAR-DYNAMICS SIMULATION OF THE TRIVALENT EUROPIUM ION DOPED IN SODIUM DISILICATE GLASS - ELECTRONIC ABSORPTION AND EMISSION-SPECTRA

We report the simulation of the optical absorption and emission spectr a of the Eu3+ ion doped in a sodium disilicate glass. A model of this glass was previously simulated by the molecular-dynamics technique. We employ a full treatment, including J mixing, of the point-charge crys tal-field method developed for doped crystalline materials in order to simulate (1) the L-5(6), 5D3,2,1,0 <-- F-7(0,1) absorption spectrum a nd (2) the 5D0 --> F-7(0-6) emission spectrum of the Eu3+ ion. This pr oduces simulated spectra with correct energies and relative intensitie s. A comparsion to experimental room-temperature absorption and fluore scence spectra of the corresponding laboratory glass is presented. By combining the simulated structural model with the calculated optical s pectra, we are able to investigate spectra-structure correlations of d oped inorganic glasses.