Adjustable localized states in perfect and single C-chain doped zigzag AlN nanoribbons

Abstract

The localized feature of electronic states is often related to some interesting electronic properties in graphite-like materials. We use the first principles calculations to investigate two important localized states, that is, flat-band states and border states, in zigzag AlN nanoribbons (zAlNNRs). Our results indicate that both localized states can exist in zAlNNRs and the border states have a close relationship with electrical conductivity. It is found that the flat-band states of perfect zAlNNRs result from edge N-pz orbitals, while the border states of doped zAlNNRs are due to π/π* orbitals of C and Al/N atoms. These findings enrich our understanding on localized states in zAlNNRs, showing a potential application in functional nanodevices.