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    Influence of Bi alloying on GaAs valence band structure

    Joshua J. P. Cooper1, Jared W. Mitchell2, Shane Smolenski2, Ming Wen3, Eoghan Downey2, Chris Jozwiak4, Aaron Bostwick4, Eli Rotenberg4, Kai Sun2 et al.

    Dominika Zgid2,3, Na Hyun Jo2,*, and Rachel S. Goldman1,2,†

    • *Contact author: nhjo@umich.edu
    • †Contact author: rsgold@umich.edu

    Phys. Rev. Materials 9, 124606 – Published 22 December, 2025

    DOI: https://doi.org/10.1103/l95h-x9kd

    Abstract

    Bi alloying is predicted to transform GaAs from a semiconductor to a topological insulator or semimetal. To date, studies of the GaAs1−xBix alloy band structure have been limited, and the origins of Bi-induced enhancement of the spin-orbit splitting energy, ΔSO, are unresolved. Here, we present high-resolution angle-resolved photoemission spectroscopy of droplet-free epitaxial GaAs1−xBix films with xBi=0.06. In addition to quantifying the Bi-induced shifts of the light-hole and heavy-hole valence bands, we probe the origins of the Bi-enhanced ΔSO. Using exact-two-component density functional theory calculations, we identify the key role of Bi p-orbitals in the upward shift of the light-hole and heavy-hole bands that results in the Bi-enhanced ΔSO.

    Physics Subject Headings (PhySH)

    Corrections

    6 February, 2026

    Correction: The omission of a support statement in the Acknowledgments has been fixed.

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