Surface state analysis of YVO4:Eu3+ nanocrystals by electrostatic point charge model

In this paper, surface state is simulated by charge compensation in nanocrystalline YVO4:Eu3+ according to electrostatic point charge model. The calculated evolutions of 7F2 crystal field (CF) levels of surface Eu3+ ions are compared with the experimental 5D0→7F2 emissions in nanocrystals. Surface adsorbates following broken Eu–O2 bonds are proved to be the main reason that cause the splitting of two-fold 7F2 level and the shift of 5D0→7F2 (A1, B2) emission.