Understanding The Photoluminescence Characteristics Of Eu~(3+)-Doped Double-Perovskite By Electronic Structure Calculation

摘要

Europium-doped luminescent barium samarium tantalum oxide Ba_2SmTaO_6 (BST) has been investigated by first-principles calculation, and the crystal structure, electronic structure, and optical properties of pure BST and Eu-doped BST have been examined and compared. Based on the calculated results, the luminescence properties and mechanism of Eu-doped BST has been discussed. In the case of Eu-doped BST, there is an impurity energy band at the Fermi level, which is formed by seven spin up energy levels of Eu and act as the luminescent centre, which is evident from the band structure calculations.