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    Mexican hat–like valence band dispersion and quantum confinement in rhombohedral ferroelectric α−In2Se3

    Geoffroy Kremer1, Aymen Mahmoudi2, Meryem Bouaziz2, Mehrdad Rahimi3, François Bertran4, Jean-Francois Dayen5,6, Maria Luisa Della Rocca3, Marco Pala7, Ahmed Naitabdi8 et al.

    Julien Chaste2, Fabrice Oehler2, and Abdelkarim Ouerghi2

    Phys. Rev. B 112, 155418 – Published 14 October, 2025

    DOI: https://doi.org/10.1103/n2l9-7vjl

    Abstract

    Two-dimensional ferroelectric materials offer a large variety of electronic properties depending on chemical composition, number of layers, and stacking order. Among them, α−In2Se3 has attracted much attention due to the promise of outstanding electronic properties, attractive quantum physics, in- and out-of-plane ferroelectricity, and high photoresponse. Precise experimental determination of the electronic structure of rhombohedral (3R) α−In2Se3 is needed for a better understanding of potential properties and device applications. Here, combining angle-resolved photoemission spectroscopy and density-functional theory calculations, we demonstrate that 3R α−In2Se3 phase exhibits a robust inversion of the valence band parabolicity at the Γ point forming a bow-shaped dispersion with a depth of 140±10meV between the valence band maximum along the ΓK direction of the Brillouin zone. Moreover, we find an indirect band gap of about 1.25 eV, as well as a highly electron doping of approximately 5×1012electronspercm2 at the surface. This leads to surface band bending and the formation of a prominent electron accumulation layer. These findings allow a deeper understanding of the rhombohedral α−In2Se3 electronic properties underlying the potential of III–VI semiconductors for electronic and photonic technologies.

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