Regensburg 2022 – wissenschaftliches Programm

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HL: Fachverband Halbleiterphysik

HL 25: Poster 1

HL 25.39: Poster

Mittwoch, 7. September 2022, 18:00–20:00, P2

Reconstructions of the As-terminated GaAs(001) surface exposed to atomic hydrogen — Marsel Karmo¹, Isaac Azahel Ruiz Alvarado², Wolf Gero Schmidt², and •Erich Runge¹ — ¹Technische Universität Ilmenau — ²Universität Paderborn

We explore the atomic structures and electronic properties of the As-terminated GaAs(001) surface in the presence of hydrogen based on ab-initio density functional theory. We calculate a phase diagram dependent on the chemical potentials of As and H, showing which surface reconstruction is the most stable for a given set of chemical potentials. The findings are supported by the calculation of energy landscapes of the surfaces, which indicate possible H bonding sites as well as the density of states, which show the effect of hydrogen adsorption on the states near the fundamental band gap [1]. Extension to the GaAs_xP_1−x(001) surfaces are presented.

[1] M. Karmo et al., ACS Omega 7, 5064-5068 (2022),

https://doi.org/10.1021/acsomega.1c06019