Linköping 2014Cover shows LEED, STM and ARPES images of the Sn/Ag/Ge(111)3×3 surface.During the course of the research underlying this thesis, Hafiz Muhammad Sohail was enrolled in the graduate school Agora Materiae, a doctoral program within the field of advanced and functional materials at Linköping University, Sweden.
AbstractMetal adsorbates on semiconductor surfaces have been widely studied over the last few decades. The main interest is focused on various one or two-dimensional structures that exhibit interesting electronic and atomic properties. This thesis focuses on metal adsorbates interacting with the Si(111) and Ge(111) surfaces. The main experimental techniques used in the thesis include angle resolved photoelectron spectroscopy (ARPES), core-level spectroscopy, scanning tunneling microscopy (STM), and low energy electron diffraction (LEED). The experimental studies have, in some cases, been complemented by theoretical electronic structure investigations based on density functional theory (DFT).Silver (Ag), a noble metal, gives rise to several reconstructions on the (111) surfaces of Si and Ge. The Ag/Si(111) 3 3 × surface has been extensively studied, but the Ag/Ge(111) 3 3 × surface has not been given similar attention, and there are no detailed experimental nor calculated electronic band structures available in the literature. Thus, a detailed ARPES investigation of the electronic structure of the Ag/Ge(111) 3 3 × surface, with nominally 1 monolayer (ML) of Ag, is presented in the thesis together with its atomic structure.The Ag/Si(111) 3 3 × and Ag/Ge(111) 3 3 × surfaces were also studied by first principles DFT based calculations (WIEN2k). Two atomic models have been suggested for the 3 3 × surfaces in the literature, i.e., the honeycomb-chained-trimer (HCT) and the in-equivalent trimer (IET) models. Band structure calculations were performed for both models, and comparisons between calculated and experimental surface band structures are presented for the Si and Ge cases.Adding approximately 0.2 ML of Ag to Ag/Ge(111) 3 3 × results in a 6×6 phase. The electronic structure of the surface is presented in detail. Several new bands appear in the energy region close the Fermi level, which can all be explained by umklapp scattering by reciprocal lattice vectors of the 6×6 lattice. A metal to semiconductor transition, associated with the 3 3 × to 6×6 structural change, is explained by gaps opening up where the umklapp scattered bands cross. A Sn coverage of 0.75 ML on the Ag/Ge(111) 3 3 × surface results in a very wellordered 3×3 surface alloy. This alloy shows a very rich surface band structure in which the upper band exhibits peculiar splits. Two-dimensional constant energy contour data reveal the existence of two rotated contours which is related to the presence of split bands in certain directions. STM images show a hexagonal or a honeycomb structure depending on sample to tip bias. A similar amount of Sn (0.75 ML) was also evaporated onto the Ag/Si111) 3 3 × surface, with the purpose to form a s...