Ordering in GaAs co-doped with Bi and N

Verstijnen, T. J. F.; Tjeertes, D.; Rice, A. D.; Alberi, K.; Koenraad, P. M.

doi:10.1103/physrevmaterials.8.054605

Title: Ordering in GaAs co-doped with Bi and N

Journal Article · 20 May 2024 · Physical Review Materials

DOI: https://doi.org/10.1103/physrevmaterials.8.054605 · OSTI ID:2370989

^[1]; Tjeertes, D. ^[1]; Rice, A. D. ^[2]; Alberi, K. ^[2];

^[1]

Eindhoven Univ. of Technology (Netherlands)
National Renewable Energy Laboratory (NREL), Golden, CO (United States)

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. Here, 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.

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Research Organization:: National Renewable Energy Laboratory (NREL), Golden, CO (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC36-08GO28308

OSTI ID:: 2370989

Report Number(s):: NREL/JA--5K00-90112; MainId:91890; UUID:22494749-c76d-4011-b927-21909507230a; MainAdminId:72762

Journal Information:: Physical Review Materials, Journal Name: Physical Review Materials Journal Issue: 5 Vol. 8; ISSN 2475-9953

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
density functional theory
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scanning tunneling microscopy

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