Ordering in GaAs Co-Doped with Bi and N: Article No. 054605

T. J. F. Verstijnen, D. Tjeertes, Anthony Rice, Kirstin Alberi, P. M. Koenraad

Research output: Contribution to journalArticlepeer-review


Introducing only a few atomic percent of Bi or N in GaAs has a large effect on the band gap of the material. Specifically Bi doped GaAs shows potential for local band gap engineering in optoelectronic applications. The incorporation of Bi and N into GaAs is difficult due to strain effects. In this work we study the ordering of these dopants at the atomic scale in order to get a better understanding of the behavior of these dopants in the host lattice. Cross-sectional scanning tunneling microscopy is used to find the exact position of Bi and N dopants in the GaAs matrix, allowing us to study both their nearest neighbor pair occurrences and pair correlation functions. An attractive interaction between Bi dopants at short ranges (1-2 nm) is found and a similar effect is observed between N dopants. We find a repulsive interaction with a similar length scale between Bi and N dopants. A similar repulsion is found in the Bi-N nearest neighbor pairs. Density functional theory is used to calculate the different nearest neighbor pair energies and test these results to the experimental pair occurrences. It is concluded from the experimental and theoretical results that the growth conditions and N inclusion greatly affects the Bi distribution in GaAs.
Original languageAmerican English
Number of pages9
JournalPhysical Review Materials
Issue number5
StatePublished - 2024

NREL Publication Number

  • NREL/JA-5K00-90112


  • density functional theory
  • doping effects
  • scanning tunneling microscopy


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