Origin of band gap bowing in dilute GaAs1-xNx and GaP1-xNx alloys: a real-space view

V. Virkkala, V. Havu, F. Tuomisto, M.J. Puska

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The origin of the band gap bowing in dilute nitrogen doped gallium based III-V semiconductors is largely debated. In this paper we show the dilute GaAs1−xNx and GaP1−xNx as representative examples that the nitrogen-induced states close to the conduction band minimum propagate along the zigzag chains on the {110} planes. Thereby states originating from different N atoms interact with each other resulting in broadening of the nitrogen-induced states which narrows the band gap. Our modeling based on ab initio theoretical calculations explains the experimentally observed N concentration dependent band gap narrowing both qualitatively and quantitatively.
Original languageEnglish
Article number035204
Pages (from-to)1-6
Number of pages6
JournalPhysical Review B
Issue number3
Publication statusPublished - Jul 2013
MoE publication typeA1 Journal article-refereed


  • band gap
  • GaAs
  • GaP
  • semiconductor


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