2010/06/30 by S. Gallégo, Silvia Gallego, Nadia Sanchez +7 · 1 citation
Chemistry · Engineering · Materials Science · Physics and Astronomy · #Adsorption #Chemical engineering #Chemistry #Condensed matter physics #Engineering #Magnetic properties of thin films #Magnetism #Materials science #Nanotechnology #Organic chemistry #Physics #Physics of Superconductivity and Magnetism #ZnO doping and properties #cond-mat.mes-hall #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevb.82.085414
6 pages, 4 figures, 3 tables
arxiv created 2010/07/20 · openalex publication_date 2010/08/10 · arxiv updated 2015/05/19 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
By means of ab initio calculations, we have investigated the effect of H adsorption on the structural, electronic, and magnetic properties of ultrathin Co films on Ru(0001). Our calculations predict that H occupies hollow sites preserving the two-dimensional threefold symmetry. The formation of a complete H overlayer leads to a very stable surface with strong H-Co bonds. H tends to suppress surface features, in particular, the enhancement of the magnetic moments of the bare film. The H-induced effects are mostly confined to the Co atoms bonded to H, independent of the H coverage or of the thickness and the structure of the Co film. However, for partial H coverages a significant increase occurs in the magnetic moment for the surface Co atoms not bonded to H, leading to a net enhancement of surface magnetism.