Jump to main content
Jump to site search

Issue 4, 2000
Previous Article Next Article

Author affiliations

Abstract

This article presents a survey of recent applications of advanced computer modelling techniques in the study of ion transport and defect properties of ABO3 perovskite-structured oxides. The principal methodologies are outlined which include techniques based upon both interatomic potentials (static lattice, molecular dynamics) and quantum mechanical methods. The scope of contemporary applications of computer modelling of perovskite oxides (such as LaBO3 and AZrO3) is illustrated by accounts of recent work on oxygen ion transport and defect association, on cation migration, and, finally, on proton incorporation and diffusion.

Back to tab navigation

Article information


Submitted
22 Oct 1999
Accepted
24 Jan 2000
First published
13 Mar 2000

J. Mater. Chem., 2000,10, 1027-1038
Article type
Feature Article

Ionic transport in ABO3 perovskite oxides: a computer modelling tour

M. Saiful Islam, J. Mater. Chem., 2000, 10, 1027
DOI: 10.1039/A908425H

Search articles by author

Spotlight

Advertisements