First-principles study on the electronic and magnetic properties of hydrogenated CdS nanosheets

Abstract

Based on first-principles calculations, we study the electronic structures and magnetic properties of a two-dimensional CdS nanostructure upon hydrogenation adsorption. The results show that the hydrogen atoms can adsorb on Cd atoms within the graphenelike Cd layers with favorable formation energies, and the resulting semihydrogenated CdS systems are expected to show semimetallic properties with Curie temperatures above room temperature. These studies demonstrate that the decoration II-VI group semiconductor with hydrogen might be an efficient route for realizing the interesting long-range ferromagnetism in nanostructure materials.