Field emission properties of the Te-doped pseudohydrogen passivated GaN nanowires: A first principle density functional study

The field emission properties of the Te-doped pseudohydrogen passivated GaN nanowires have been investigated by a first principle density functional calculation. The results show that Ga atoms on the outmost-surface of GaN nanowires are more likely to be replaced by Te atoms, and two or three Te atoms are inclined to favor the nearest neighbors on the outmost-surface of GaN nanowires. Furthermore, the local electron states near the Fermi level are mainly introduced by Te atoms. The work function (WF), ionization potential (IP) and electron affinity (EA) of the Te-doped GaN nanowires decrease with the increase of the number of Te atoms. It suggests that the presence of Te atoms allows for a significant enhancement of the field emission properties. The Te-doped GaN nanowires may be used as a candidate for the future field emission electron sources.