Surface and Thin Film Phenomena
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Abstract
Abstract
Abstract We present the superstructure formed during phosphorus deposition on the reconstructed Au(100)-hexagonal surface together with its electronic properties. Scanning tunneling microscopy and spectroscopy combined with X-ray diffraction are compared to first-principles calculations. All these results consistently indicate a p(2×2) phosphorus structure with P atoms in hollow sites above a strained Au(100) surface. At intermediate coverage, Au(100)-hexagonal domains coexist with the p(2×2) superstructure. For full coverage, the reconstruction is completely lifted. Structure factors deduced from theoretical calculations and those measured by diffraction are in excellent agreement and demonstrate that P atoms induce significant Au strain which promotes a 0.2 Å outward relaxation associated with the quadrimerization of the underlying Au atoms. From the point of view of an electronic density perspective, a peak at 3.6 eV is observed in the unoccupied states, which is also supported by density functional theory. This is explained by a transfer of electrons from the Au surface to the P atoms.
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@article{Girard2026Structural,
title = {Structural and Electronic Properties of p(2×2)Phosphorus Layer on Au(100)},
author = {Yann Girard and Mehdi Bouatou and Abhishek Karn and Cyril Chacon and I. Michel and Yannick J. Dappe and Alexander Smogunov and Y. Garreau and Alina Vlad and Alessandro Coati and Jérôme Lagoute},
journal = {The Journal of Physical Chemistry Letters},
year = {2026},
doi = {10.1021/acs.jpclett.6c02046},
url = {https://doi.org/10.1021/acs.jpclett.6c02046}
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