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arXiv · 1507.03405

Charging of Cu atom on Mo supported thin films of ScN, MgO and NaF

Pjotrs A. Žguns·Michael Wessel·Natalia V. Skorodumova
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Abstract

Molybdenum supported thin films of ScN, MgO and NaF with a Cu adatom have been studied in the framework of density functional theory. We have observed a charge transfer from the metal/film interface to the Cu atom and investigated its relation to surface and interface deformations. We find that a weak interaction between the metal and the film is a promising prerequisite for adatom charging. The detailed study of Cu/NaF/Mo and NaF/Mo indicates that the distortion of the NaF film caused by the Cu adsorption has essentially anharmonic character, as it is coupled to a strong charge redistribution in the system.

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Pjotrs A. Žguns, Michael Wessel, Natalia V. Skorodumova. 2015-07-13. Charging of Cu atom on Mo supported thin films of ScN, MgO and NaF. https://arxiv.org/abs/1507.03405

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