Magnetism of Ru and Rh thin films on Ag(001) substrate: ab initio calculations
Escuela de Ciencias Fisico-Matemáticas, Universidad Autónoma de Sinaloa,
Bldv. de las Americas y Universitarios, Ciudad Universitaria, Culiacán Sinaloa, 80010, México
Corresponding author: a email@example.com
Published online: 15 April 2009
The electronic, structural, and magnetic properties of Ru and Rh thin films on Ag(001) substrate are investigated by means of density functional calculations. The generalized gradient approximation is used to treat the exchange correlation potential. Alloying, burying, and fully relaxing effects are considered for different degrees of coverage: 0.25, 0.50, 1 and 2 ML. Alloying and burying effects reduce the magnetic moments while fully relaxing effects enlarge them. For Ru, the magnetic moment is high for 0.25 ML and vanishes for 2 ML; however, for Rh, the magnetic moment remains high even for 2 ML. Nevertheless, when cluster formation is analysed we conclude that the absence of magnetism in a number of previous experimental works could be attributed to the formation of big size clusters.
PACS: 73.20.-r – Electron states at surfaces and interfaces / 75.70.Ak – Magnetic properties of monolayers and thin films / 68.47.De – Metallic surfaces / 75.70.-i – Magnetic properties of thin films, surfaces, and interfaces
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2009