Abstract
New Bi1.5Mg0.9-xLixNb1.5O7–δ (x = 0.25; 0.40) and Bi1.4RE0.1Mg0.5Li0.4Nb1.5O7–δ (RE – Eu, Ho, Yb) compounds with the pyrochlore structure were synthesized. The displacements of the A-site atoms (96g) and O' ones (32e) as well as the Li and RE atoms distribution in the A-sites were determined. The dopant distribution was proven by ab initio calculations. The most preferable (Bi1.5Li0.5)(Nb1.5Mg0.5)O7 model was predicted with a direct band gap of 3.18 eV corresponding to the experimental Eg for Bi1.5Mg0.5Li0.4Nb1.5O7–δ. The thermal stability of the compounds in air up to 1100–1220 °C and the reducing atmosphere up to 400 °C was determined. The charge disbalance in the A2O' sublattice and the oxygen vacancies predetermine the dielectric behavior of the ceramics up to 200 °C, the mixed conductivity at high temperatures (T > 200 °C), and the proton transport up to 400 °C.
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