DFT study on the electronic structure and optical properties of an Au-deposited α-Fe<sub>2</sub>O<sub>3</sub>(001) surface
Yong Shi, Cuihua Zhao, Xing Chen, Cuiting Chen, Xi Zhou, Jianhua Chen
Abstract
. Further increasing the Au cluster size above 4Au results in a decrease in absorption intensity. The results are in good agreement with those of the refractive index, extinction coefficient and dielectric function.
Topics & Concepts
Electronic structureMaterials scienceSurface (topology)CrystallographyChemistryComputational chemistryMathematicsGeometryIron oxide chemistry and applicationsSurface and Thin Film PhenomenaElectron and X-Ray Spectroscopy Techniques