Iron Nanoclusters Supported on Ultra-Thin MgO Films

摘要: ±Adsorption porperties of small Fe cluster deposited on thin MgO films on a metal substrate have been studied by means of density functional theory. In order to better understand the role of the metal substrate we have used two different metal, Mo (100) and Fe (100). We studied the adsorption properties of the iron clusters in terms of structural and magnetic properties. We found that upon adsorption on our ultra thin films iron clusters have mostly the same geometries of iron clusters adsorbed on pure MgO (100). At the same time we found a significantly increase of the adsorption energy.