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Gap opening of image potential state on reconstructed Ir(001) surface

Pratyay Amrit1, Naoya Kawakami1, Noriaki Takagi2, Hiroshi Ishida3, Chun-Liang Lin1,*, and Ryuichi Arafune4,†

  • *Contact author: clin@nycu.edu.tw
  • †Contact author: arafune.ryuichi@nims.go.jp
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Phys. Rev. Research 7, 023294 – Published 23 June, 2025

DOI: https://doi.org/10.1103/46k5-fft2

Abstract

We have investigated the image potential states (IPSs) for the unreconstructed Ir(001)−(1×1) and the reconstructed Ir(001)−(5×1) surfaces by using two-photon photoemission spectroscopy. We reveal that the Ir(001)−(5×1) reconstructed surface covered by Xe adatoms exhibits a band gap of 100 meV, which arises from the new periodic potential created by the reconstruction, whereas no band gap was observed on the Ir(001)−(1×1) surface within the measured momentum range. The experimental results are compared with the theoretical ones obtained within density functional theory for both the clean and Xe-covered Ir(001)−(5×1) reconstructed surfaces. The planar averaged charge density distributions of the IPS for both the surfaces show that the Xe adsorption does not significantly alter the positions of charge density maxima, which rationalizes why the band gap arising from the substrate superlattice potential does not change significantly upon Xe adsorption. The agreement between the experimentally observed band gap for the IPS on the Xe-covered surface and the theoretical calculations highlights the robustness of IPS behavior under Xe adsorption.

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Phys. Rev. Research 7, 023294– Published 23 June, 2025
  • Received 23 February 2025
  • Accepted 3 June 2025
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Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.

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