Response function calculations of Ba3Si6O12N2 and Ba3Si6O9N4 for the understanding of the optical properties of the Eu-doped phosphors

Abstract Vibrational and elastic properties of Ba 3 Si 6 O 12 N 2 and Ba 3 Si 6 O 9 N 4 are investigated to aiming at the understanding the difference in luminescence and thermal quenching behaviour of Ba 3 Si 6 O 12 N 2 :Eu (green luminescence with weak thermal quenching) and Ba 3 Si 6 O 9 N 4 :Eu (blue–green luminescence with strong thermal quenching). Computed results indicate no significant differences between Ba 3 Si 6 O 12 N 2 and Ba 3 Si 6 O 9 N 4 , suggesting that the difference in thermal quenching may be explained by auto-ionization model rather than configurational coordinate diagram.