Portal de Periódicos da CAPES

Influence of structure on the optical spectra of Eu3+ in Pb(PO3)2 glass: molecular dynamics simulation and crystal-field theory

1994; Royal Society of Chemistry; Volume: 90; Issue: 5 Linguagem: Inglês

10.1039/ft9949000755

1364-5455

G. Cormier, John A. Capobianco, Carole A. Morrison,

Photorefractive and Nonlinear Optics

An investigation of the structural factors which lead to the marked differences between various spectral features of rare-earth-metal ions doped in metal metaphosphate and silicate glasses is reported. The investigation was based on a simulated structural/spectral model of an Eu3+-doped lead metaphosphate glass [Eu3+ : Pb(PO3)2] that was compared to a previously reported Eu3+-doped sodium disilicate glass [Eu3+ : Na2Si2O5]. The models were generated with a computational method that couples molecular dynamics simulation and point-charge crystal-field calculations. It is proposed that the marked differences in several spectroscopic features of Eu3+ ions doped in a lead metaphosphate glass are essentially due to a reduction in the width of the energetic distribution of local fields experienced by the Eu3+ ions. This distribution is shown to be influenced considerably by the presence of medium-range order in the local environment of the Eu3+ ions due to the lack of rigidity of the phosphate backbone.