[21a-S423-1~10] 13.9 Optical properties and light-emitting devices

[21a-S423-3] First-principles band calculation of Eu²⁺/Ce³⁺-doped phosphors: crystal site engineering

Samuel Ponce², Yongchao Jia², 〇Masayoshi Mikami¹, Anna Miglio², Xavier Gonze² (1.MCHC R&D Synergy Center, 2.Universite Catholique de Louvain)

Keywords:phosphor,luminescent center,First-principles calculation

First-principles calculations are conducted to analyze optical properties about several Eu2+/Ce3+-doped phosphors, for example, luminescent/non-luminescent center identification in particular. Specifically, two cases are discussed: 1) Ba3Si6O12N2:Eu vs. Ba3Si6O9N4:Eu, 2) LaSi3N5:Ce vs. La3Si6N11:Ce