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 (Sr1−3x/2Lax)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.
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 callMore From: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms
Disclaimer: 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.
