Adsorption of dysprosium on hexagonal boron-nitride monolayer

Rare earth elements and their alloys are important parts of the powerful permanent magnets that are used basically everywhere. Dysprosium, which allows the permanent magnets to operate at high temperatures, is used in relatively small quantities but is significantly more costly than neodymium. Therefore, reducing the dysprosium content is one of the main research targets. In this study, the Dysprosium adatom adsorption on hexagonal Boron-Nitride has been investigated theoretically by using the Density Functional Theory. The four possible adsorption sites have been studied to find out the favorable site for Dy adsorption. The structural, electronic, magnetic, and optical properties of pure BN and Dy-BN have been analyzed. The small interaction energy of Dysprosium with BN suggests the 3D growth of Dy islands with high thermal stability on the BN monolayer.