Beryllium decorated armchair boron nitride nanoribbon: A new planar tetracoordinate nitride containing system with enhanced conductivity

In this Letter, a new kind of planar tetracoordinate nitride (ptN) structure via Be-decorated armchair BNNR has been obtained. The high thermal stability of such ptN system is confirmed by both global minimization and molecular dynamic simulation under 1500 K, which gives big possibility for its realization in experiment. The transport properties of armchair BNNR have significantly increased after the decoration of Be atoms, and the band gap decreases with the decrease of armchair BNNR width.