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Cheng ST, Todorova M, Freysoldt C, et al. Negatively charged ions on Mg(0001) surfaces: appearance and origin of attractive adsorbate-adsorbate interactions. Phys Rev Lett. 2014;113(13):136102doi: 10.1103/PhysRevLett.113.136102.
Cheng, S. T., Todorova, M., Freysoldt, C., & Neugebauer, J. (2014). Negatively charged ions on Mg(0001) surfaces: appearance and origin of attractive adsorbate-adsorbate interactions. Physical review letters, 113(13), 136102. https://doi.org/10.1103/PhysRevLett.113.136102
Cheng, Su-Ting, et al. "Negatively charged ions on Mg(0001) surfaces: appearance and origin of attractive adsorbate-adsorbate interactions." Physical review letters vol. 113,13 (2014): 136102. doi: https://doi.org/10.1103/PhysRevLett.113.136102
Cheng ST, Todorova M, Freysoldt C, Neugebauer J. Negatively charged ions on Mg(0001) surfaces: appearance and origin of attractive adsorbate-adsorbate interactions. Phys Rev Lett. 2014 Sep 26;113(13):136102. doi: 10.1103/PhysRevLett.113.136102. Epub 2014 Sep 23. PMID: 25302906.
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Phys Rev Lett. 2014 Sep 26;113(13):136102. doi: 10.1103/PhysRevLett.113.136102. Epub 2014 Sep 23.

Negatively charged ions on Mg(0001) surfaces: appearance and origin of attractive adsorbate-adsorbate interactions.

Physical review letters

Su-Ting Cheng, Mira Todorova, Christoph Freysoldt, Jörg Neugebauer

Affiliations

  1. Department for Computational Materials Science, Max-Planck-Institut für Eisenforschung GmbH, Max-Planck-Strasse 1, D-40237 Düsseldorf, Germany.

PMID: 25302906 DOI: 10.1103/PhysRevLett.113.136102

Abstract

Adsorption of electronegative elements on a metal surface usually leads to an increase in the work function and decrease in the binding energy as the adsorbate coverage rises. Using density-functional theory calculations, we show that Cl adsorbed on a Mg(0001) surface complies with these expectations, but adsorption of {N,O,F} causes a decrease in the work function and an increase in the binding energy. Analyzing the electronic structure, we show that the presence of a highly polarizable electron spill-out in front of Mg(0001) causes this unusual adsorption behavior and is responsible for the appearance of a hitherto unknown net-attractive lateral electrostatic interaction between same charged adsorbates.

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