| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9818419 | Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms | 2005 | 5 Pages |
Abstract
Atomistic simulation of radiation damage in oxides is a relatively new field compared to similar work in metals and semiconductors, and presents new challenges. We describe the development of a simplified empirical model for the (Sr1â3x/2Â Lax)TiO3 perovskite system, which contains partially-ordered cation vacancies and has interesting radiation resistance properties. Pair potential parameters are fitted to a range of experimental and new ab initio data, and the resulting model accurately reproduces important properties of the system, including local cation ordering effects.
Keywords
Related Topics
Physical Sciences and Engineering
Materials Science
Surfaces, Coatings and Films
Authors
B.S. Thomas, N.A. Marks, B.D. Begg,