Estimation of Charge Transfer Energy for Europium(Ⅲ) in Semiconductors

摘要

An efficient method is proposed to quantitatively calculate the charge transfer (CT) energy of Eu~(3+) in binary and ternary alloyed semiconductors. A linear relationship is established between the available CT energies of Eu-doped semiconductors and the bond strengths of the hosts, which can be calculated by EN of bonded atoms, bond length, and ionicity of the bond. The calculated results agree well with the available experimental data, which shows that the CT energies of Eu~(3+) are strongly correlated to the bond strengths of hosts. In addition, the CT energies of Eu~(3+) in ternary alloyed semiconductors are predicted. This work provides a guideline in compositionally designing lanthanide-doped luminescent semiconductor materials.