Abstract
Silicon is a material with well established technological applications. Thus, obtaining this material in nanostructured form increases its possibility of integration in the current technology. Silicene, a two-dimensional allotrope of silicon, has a natural compatibility with current silicon-based technology. In this work we use density-functional theory to identify the electronic and magnetic properties of chromium atoms on monolayer and bilayer silicene. We investigate several properties of chromium in silicene, such as dopant solubility limits, site preference for adsorption and charge transfer. We find that magnetization depends on key parameters such as buckling, interlayer distance and adsorption site. Chromium intercalated in silicene bilayers showed a very interesting relation between the buckling of silicene and the total magnetic moment. The larger is the buckling the smaller is the magnetic moment. Our results demonstrate that it is possible to manipulate the magnetic properties of silicene by changing chromium concentration, adsorption site and structural parameters of the host material.
Published Version
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