Article ID Journal Published Year Pages File Type
1561566 Computational Materials Science 2012 7 Pages PDF
Abstract
► The doping of Be atom at interstitial positions of ZnO is energetically favorable. ► Interstitial Be atoms would decrease the band gap of ZnO. ► Changes of band gap are due to the increase of covalent and metallic bonding. ► The present results could clarify the controversies of ZnBeO in the literature.
Related Topics
Physical Sciences and Engineering Engineering Computational Mechanics
Authors
, ,