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    Electronic structure of a doped Mott-Hubbard surface

    Mattia Iannetti1,*, Silvio Modesti2, Giovanni Di Santo3,4, Marco Caputo3, Polina M. Sheverdyaeva5, Paolo Moras5, Fabio Chiapolino6, Tommaso Cea1, Cesare Tresca7 et al.

    Erio Tosatti8,9 and Gianni Profeta1,7

    • *Contact author: mattiaiannetti@gmail.com

    Phys. Rev. B 112, 075159 – Published 28 August, 2025

    DOI: https://doi.org/10.1103/ry9v-47x2

    Abstract

    The Sn/Si(111)−(3×3)R30∘ surface, a 2D Mott insulator, has long been predicted and then found experimentally to metallize and even turn superconducting upon boron doping. To clarify the structural, spectroscopic, and theoretical details of that evolution, here we present angle resolved photoemission spectra data supplementing morphology and scanning tunneling measurements. These combined experimental results are compared with predictions from a variety of electronic structure approaches, mostly density functional DFT+U, but not neglecting Mott-Hubbard models, both ordered and disordered. These theoretical pictures address different spectroscopic aspects, including the 2D Fermi surface, the Hubbard bands, etc. While no single picture accounts for all observations at once, the emergent hypothesis compatible with all data is that metallization arises from sub-subsurface boron doping, alternatively to the main standard subsurface boron geometry that would leave the surface insulating. These results advance the indispensable frame for the further understanding of this fascinating system.

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