HREM and molecular dynamics studies of oxygen-defective LaMnO3-x

Autor: Shibahara, Hiroyasu
Zdroj: Journal of Electron Microscopy; January 1998, Vol. 47 Issue: 4 p327-327, 1p
Abstrakt: The stability of an oxygen-defective structure of LaMnO3−x was studied by MD simulation. The relaxed structure based on the MD simulation could provide sufficient adequate information to discuss the proposed structure model of LaMnO3−x compared with the observed image contrast by HREM. Image calculation of the relaxed structure by the multislice method also supported the proposed defect structure model. Analysis of the atomic structure by MD simulation gave the information of oxygen ion and cation migration in oxygen-defective perovskite.
Databáze: Supplemental Index