Electronic structure and associated properties of Gd2O2S : Tb3+

In this paper we present the calculated electronic structures and associate d properties of a green phosphor, Gd2O2S : Tb3+ and compare with experiment . Calculations are performed using the spin polarized relativistic version of the self-consistent field XY scattered wave molecular orbital cluster me thod and the augmented spherical wave band structure supercell method. The band structures and the associated energy level diagrams of this phosphor w ill be used to study the luminescence mechanism of Gd2O2S : Tb3+ and to int erpret its optical, photoconductivity and XPS spectra. (C) 2000 Elsevier Sc ience B.V. All rights reserved.