Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5465291 | Surface and Coatings Technology | 2017 | 5 Pages |
Abstract
Using density functional theory based molecular dynamics simulations, we have investigated plasma - ZnO(0001) interactions for four different surface sites. The influence of 30Â eV Ar, Zn, and O bombardment on atomic and electronic modifications of ZnO(0001) has been explored. We observe exchange diffusion, channeling, O2 desorption, formation of Frenkel pairs and vacancies, Ar incorporation, and O vacancy - Zn interstitial cluster formation, which is significant for growth and properties. Zn and O form covalent and ionic bonds in ZnO, which are severed and rearranged in the vicinity of defects. These electronic structure changes may in turn alter the transport properties.
Related Topics
Physical Sciences and Engineering
Materials Science
Nanotechnology
Authors
Denis Music, Lukas Offermann, Gürsel Aras, Pascal Bliem, Maximilian Geilen, Yannick Naunheim, Tejas Ravindra,