Abstract
A review of the data on computer calculation and stereo-atomic crystals structure analysis applied to AMO 4 (A=Ba, Ca, Cd, Pb, Sr, Zn, Eu; M=W, Mo) and solid solutions based on these compounds is presented. Possible migration 3D-paths and migration channels for W or Mo ions in scheelite- and wolframite-type suitable structures of AMO 4 were considered on nano-size level. The program package TOPOS for the calculation of the ion migration in real crystals was used. The four factors (structural, partial cationic substitution, temperature, and technological conditions of compound growth technique) as influence methods for change of the possible ion migration path up to formation of continuous the latter were ascertained. Usefulness of proposed approach as a tool for investigation of structural point defects was showed. Keywords : computer calculation program TOPOS, W/Mo migration, migration channel, AMO 4 (A=Ba, Ca, Cd, Pb, Sr, Zn, Eu; M=W, Mo), scheelite, wolframite.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
