Ab initio molecular dynamic study of structure and atomic motions in SrCoO3-x and SrCo0.875Mo0.125O3-x

Original language	English
Pages (from-to)	435-438
Number of pages	4
Journal	Materials Today: Proceedings
Volume	25
DOIs	https://doi.org/10.1016/j.matpr.2019.12.150
Publication status	Published - 2019
Externally published	Yes
Event	3rd All-Russian Conference, with International Participation Hot Topics of Solid State Chemistry : From New Ideas to New Materials, HTSSC 2019 - Novosibirsk, Russian Federation Duration: 1 Oct 2019 → 5 Oct 2019

Ab initio calculations, Density functional theory, Effective charge, Molecular dynamic, Non-stoichiometric oxides, Perovskites, CATION SUBSTITUTION, ELECTRONIC-STRUCTURE

ID: 25403164