Ab Initio Calculation of Excited States of GdOBr:Ce3+

概要

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Cerium-doped gadolinium oxybromide (GdOBr:Ce3+), a blue phosphor, has shown potential as a candidate material for commercial display applications. To understand the optical properties of this material, we calculated the ground and excited state electronic structures using an ab initio embedded cluster method. We found that excitations in GdOBr:Ce occur via two mechanisms: an intra-4f–5d transition of the Ce ion and a charge transfer transition from four oxygens to the Ce ion. The calculated excitation peaks were in reasonable agreement with experimental spectral features reported previously by our group.
Published by the Japan Society of Applied Physics through the Institute of Pure and Applied Physicsの論文
2003-09-15