2:00 PM - 2:15 PM
[7p-A414-4] First-principles calculation of Ce3+/Eu2+-doped phosphors: optical properties prediction
Keywords:phosphor, configurational coordinate model, first-principles band calculation
We study the optical properties (excitation and emission energies,Stokes shifts, and so forth) of Ce3+/Eu2+-doped phosphors by first-priciples band calculation. The one-dimensional configuration coordination diagram is constructed from ab initio calcuation to evalutate the optical properties. The calculated excitation and emission energies can match the experiment within about 0.3 eV.