Effect of Li and Li-RE co-doping on structure, stability, optical and electrical properties of bismuth magnesium niobate pyrochlore

被引：6
|
作者：
Koroleva, Mariia S. [1 ]
Krasnov, Aleksei G. [1 ]
Senyshyn, Anatoliy [2 ]
Schoekel, Alexander [3 ]
Shein, Igor R. [4 ]
Vlasov, Maxim, I [5 ,6 ]
Piir, Irina, V [1 ]
机构：
[1] Russian Acad Sci, Fed Res Ctr Komi Sci Ctr, Inst Chem, Ural Branch, Syktyvkar 167982, Russia
[2] Tech Univ Munich, Forschungsneutronenquelle Heinz Maier Leibnitz FR, D-85747 Munich, Germany
[3] DESY, D-22607 Hamburg, Germany
[4] Russian Acad Sci, Inst Solid State Chem, Ural Branch, Ekaterinburg 620990, Russia
[5] Russian Acad Sci, Inst High Temp Electrochem, Ural Branch, Ekaterinburg 620137, Russia
[6] Ural Fed Univ, NANOTECH Ctr, Ekaterinburg 620002, Russia
来源：
MATERIALS RESEARCH BULLETIN | 2022年 / 145卷
关键词：
Complex bismuth niobates; Atoms distribution; Ab initio calculation; Thermal stability; Electrical properties; DIELECTRIC-PROPERTIES; ELECTRONIC CONDUCTIVITY; MAGNETIC-STRUCTURE; ION CONDUCTIVITY; PHASE-FORMATION; SINTERING AIDS; OXYGEN; ELECTROLYTES; TRANSPORT; CERAMICS;
D O I：
10.1016/j.materresbull.2021.111520
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
New Bi1.5Mg0.9-xLixNb1.5O7-delta (x = 0.25; 0.40) and Bi1.4RE0.1Mg0.5Li0.4Nb1.5O7-delta (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)O-7 model was predicted with a direct band gap of 3.18 eV corresponding to the experimental E-g for Bi1.5Mg0.5Li0.4Nb1.5O7-delta. The thermal stability of the compounds in air up to 1100-1220 degrees C and the reducing atmosphere up to 400 degrees C was determined. The charge disbalance in the A(2)O' sublattice and the oxygen vacancies predetermine the dielectric behavior of the ceramics up to 200 degrees C, the mixed conductivity at high temperatures (T > 200 degrees C), and the proton transport up to 400 degrees C.
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页数：11
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