Electronic structure of Au-Sn compounds grown on Au(111) (1911.10002v2)

Abstract: The electronic structure of Au-Sn intermetallic layers of different compositions grown on Au(111) to the thickness of several nanometers has been studied in this work. The layer, interface and the substrate related components in the Au 4$f$ and Sn 4$d$ core-level spectra obtained using x-ray photoelectron spectroscopy (XPS) vary with deposition parameters to reveal the details of the Au-Sn formation. While AuSn is grown by deposition at room temperature, Au rich compounds form as a result of heat treatment through inter diffusion of Au and Sn. Deposition at high temperature forms more Au rich compositions compared to post annealing at the same temperature due to the kinetic energy of the impinging Sn atoms in the former case. Post annealing, on the other hand, stabilizes the bulk phases such as AuSn and Au$5$Sn and exhibits an activated behavior for transition from the former to the latter with increasing temperature. The XPS valence band spectra of AuSn and Au${5}$Sn layers show good agreement with the density functional theory calculation, indicating that these have the bulk structure reported in literature. However, the influence of anti-site defects is observed in Au$_5$Sn. Low energy electron diffraction study reveals that although the AuSn layer is ordered, its top surface is disordered at room temperature. Surface order is obtained by annealing or deposition at elevated temperatures and dispersing bands are observed by angle resolved photoemission spectroscopy. Both electron-like and hole-like bands are evident for the ($\sqrt{3}$$\times$$\sqrt{3}$)R30$^{\circ}$ phase, while a nearly free electron-like parabolic surface state is observed for the p(3$\times$3)R15$^{\circ}$ phase.