Electron localization and emission mechanism in wurtzite (Al, In, Ga)N alloys

The electronic structures of wurtzite InGaN and AlGaN alloys are investigated using the first‐principle density functional theory calculation. The results indicate that some short In–N–In atomic chains and small In–N atomic condensates composed of a few In and N atoms can be randomly formed in InGaN alloys. The electrons at the top of valence bands can be effectively localized in the vicinity of the In–N–In zigzag chains (weak localization) and the In–N atomic condensates (strong localization). These localized electrons extremely enhance the emission efficiency of InGaN alloys.