Title :
Migration ways of ions in CaMoO4 and BaWO4 crystals with scheelite-type structure
Author :
Shevchuk, V.N. ; Kayun, I.V.
Author_Institution :
Lviv Ivan Franko Nat. Univ., Lviv, Ukraine
Abstract :
The stereo-atomic crystal structure analysis to crystals with the structure of scheelite was applied. The program package TOPOS 4.0 for calculation was used. Migration path for Mo ions in CaMoO4 at different temperatures and for W ions in BaWO4 was visualized.
Keywords :
barium compounds; calcium compounds; chemistry computing; crystal structure; ionic conductivity; physics computing; space groups; voids (solid); BaWO4; BaWO4 crystals; CaMoO4; CaMoO4 crystals; Mo ions; TOPOS 4.0 program package; W ions; migration path; migration ways; scheelite-type structure; stereoatomic crystal structure analysis; Barium; Conductivity; Visualization; Voronoi polyhedra; elementary void; migration map; scheelite;
Conference_Titel :
Oxide Materials for Electronic Engineering (OMEE), 2014 IEEE International Conference on
Conference_Location :
Lviv
Print_ISBN :
978-1-4799-5960-0
DOI :
10.1109/OMEE.2014.6912367