Structural determination of bilayer graphene on SiC(0001) using synchrotron radiation photoelectron diffraction

In recent years there has been growing interest in the electronic properties of 'few layer' graphene films. Twisted layers, different stacking and register with the substrate result in remarkable unconventional couplings. These distinctive electronic behaviours have been attributed to structural differences, even if only a few structural determinations are available. Here we report the results of a structural study of bilayer graphene on the Si-terminated SiC(0001) surface, investigated using synchrotron radiation-based photoelectron diffraction and complemented by angle-resolved photoemission mapping of the electronic valence bands. Photoelectron diffraction angular distributions of the graphene C 1s component have been measured at different kinetic energies and compared with the results of multiple scattering simulations for model structures. The results confirm that bilayer graphene on SiC(0001) has a layer spacing of 3.48 Å and an AB (Bernal) stacking, with a distance between the C buffer layer and the first graphene layer of 3.24 Å. Our work generalises the use of a versatile and precise diffraction method capable to shed light on the structure of low-dimensional materials

Band-gap expansion in the surface-localized electronic structure of MoS2(0002)

The electronic band structure of MoS2 single crystals has been investigated using angle-resolved photoelectron spectroscopy and first-principles calculations. The orbital symmetry and k dispersion of these electronic states responsible for the direct and the indirect electronic band gaps have been unambiguously determined. By experimentally probing an increase of the electronic band gap, we conclude that a MoS2 (0002) surface localized state exists just below the valence band maximum at the Gamma point. This electronic state originates from the sulfur planes within the topmost layer. Our comprehensive study addresses the surface electronic structure of MoS2 and the role of van der Waals interlayer interactions.open112625Nsciescopu

Shape-resonant superconductivity in nanofilms: from weak to strong coupling

Ultrathin superconductors of different materials are becoming a powerful platform to find mechanisms for enhancement of superconductivity, exploiting shape resonances in different superconducting properties. Here we evaluate the superconducting gap and its spatial profile, the multiple gap components, and the chemical potential, of generic superconducting nanofilms, considering the pairing attraction and its energy scale as tunable parameters, from weak to strong coupling, at fixed electron density. Superconducting properties are evaluated at mean field level as a function of the thickness of the nanofilm, in order to characterize the shape resonances in the superconducting gap. We find that the most pronounced shape resonances are generated for weakly coupled superconductors, while approaching the strong coupling regime the shape resonances are rounded by a mixing of the subbands due to the large energy gaps extending over large energy scales. Finally, we find that the spatial profile, transverse to the nanofilm, of the superconducting gap acquires a flat behavior in the shape resonance region, indicating that a robust and uniform multigap superconducting state can arise at resonance.Comment: 7 pages, 4 figures. Submitted to the Proceedings of the Superstripes 2016 conferenc

Scanning Tunneling Microscopy and Photoelectron Spectroscopy Studies of Si(111) and Ge(111) Surfaces : Clean and Modified by H or Sn Atoms

The (111) surfaces of Si and Ge were studied by scanning tunneling microscopy (STM) and photoelectron spectroscopy (PES) that are complementary techniques used to obtain structural and electronic properties of surfaces. The (111) surfaces have been of great interest because of the complex reconstructions formed by annealing. Adsorption of different types of atoms on these surfaces has been widely explored by many research groups. In this thesis work, both clean and modified Si(111) and Ge(111) surfaces were extensively studied to gain information about their atomic and electronic structures. Hydrogen plays a significant role in surface science, specifically in passivating dangling bonds of semiconductor surfaces. There has been a significant number of studies performed on hydrogen exposure of the Si(111)7x7 surface. However, most studies were done after higher exposures resulting in a 1x1 surface. In this thesis work, low hydrogen exposures were employed such that the 7x7 structure was preserved. STM images revealed that the hydrogen atoms preferentially adsorb on the rest atoms at elevated temperatures. A hydrogen terminated rest atom dangling bond is no longer visible in the STM image and the surrounding adatoms become brighter. This implies that there is a charge transfer back to the adatoms. Three types of Htermination (1H, 2H and 3H) were studied in detail by analysing the line profiles of the apparent heights. There are still unresolved issues regarding the electronic structure of the Ge(111)c(2x8) surface. By combining STM, angle-resolved photoelectron spectroscopy (ARPES), and theoretical calculations, new results about the electronic structure of the clean surface have been obtained in this thesis. A more detailed experimental surface band structure showing seven surface state bands is presented. A split surface state band in the photoemission data matched a split between two types of rest atom bands in the calculated surface band structure. A highly dispersive band close to the Fermi level was identified with states below the adatom and rest atom layers and is therefore not a pure surface state. The bias dependent STM images which support the photoemission results were in agreement with simulated images generated from the calculated electronic structure of the c(2x8) surface. Many studies have been devoted to hydrogen adsorption on Si(111)7x7 but only a few have dealt with Ge(111)c(2x8). In this work, hydrogen adsorption on Ge(111)c(2x8) has been studied using STM and ARPES. The preferred adsorption site is the rest atom. As a consequence of the adsorption on the rest atom there is a reverse charge transfer to the adatoms, which makes them appear brighter in the filled-state STM images. Photoemission results showed that for the H-exposed surface, the surface states associated with the rest-atom dangling bonds decreased in intensity while a new peak appeared in the close vicinity of the Fermi level which is not present in the spectrum of the clean surface. This is a clear evidence of a semiconducting to metallic transition of the Ge(111)c(2x8) surface. A higher H exposure on the Ge(111)c(2x8) surface was also done which resulted in a 1x1 surface. The electronic structure was investigated using ARPES. Two surface states were observed that are related to the Ge-Ge backbonds and the Ge-H bonds. Sn/Ge(111) has attracted a lot of attention from the surface science community because of the interesting phase transition from the RT-(√3x√3) phase to the LT-(3x3) phase. Previously, the Sn/Ge(111)√3x√3 surface was considered to be just a simple α- phase surface on which the Sn atoms sit on the T4 sites. However, a core-level study of the RT-(√3x√3) surface showed two components in the Sn 4d core-level spectra which implies that there are two inequivalent Sn atoms. The transition was later on explained by the dynamical fluctuation model. There have been different models proposed for the Sn/Ge(111)3x3 structure such as the 2U1D, 1U2D and IDA models. In this thesis work, the surface was studied using STM. The optimum √3x√3 surface was determined by performing different sample preparations. The LT STM images of the 3x3 surface were investigated and they showed that there are different types of Sn atoms such as up and down atoms. A histogram of the apparent height distribution revealed two peaks, a sharper peak associated with the up atoms and a broader peak for the down atoms. The height distribution was used to produce simulated Sn 4d core-level spectra and the line shape was compared to that of experimental spectra

Electronic structure of H/Ge(111)1×1 studied by angle-resolved photoelectron spectroscopy

The electronic structure of H/Ge(111)1×1 was investigated using angle-resolved photoelectron spectroscopy. Spectra were measured along the high-symmetry lines of the 1×1 surface Brillouin zone. In the Γ̅ −K̅ −M̅ direction, two surface states, labeled a and a′, were found in the lower and upper band-gap pockets. The a and a′ surface states are associated with the Ge-H bonds and the Ge-Ge backbonds, respectively. In the Γ̅ −M̅ direction, only the Ge-H surface state, a, can be identified. It is found in the band-gap pocket around the M̅ point. The two hydrogen-induced surface states on H/Ge(111)1×1 show strong similarities with the corresponding surface states on H/Si(111)1×1. Results from H/Ge(111)1×1 and H/Si(111)1×1 are compared in this Brief Report

High-resolution angle-resolved photoemission spectroscopy study of monolayer and bilayer graphene on the C-face of SiC

High-energy and k-space resolution angle-resolved photoemission spectroscopy experiments were achieved on nominally single and bilayer graphene grown by Si-flux assisted molecular beam epitaxy (MBE) on the C-face of SiC. This material shows the same structure as the graphene grown by standard high-temperature annealing of SiC, noticeably the rotational disorder and the very weak electronic coupling between stacked layers. The SiC substrate induces a strong doping by charge transfer, with a Dirac point located 320 meV below the Fermi level for monolayer graphene. The efficient screening by the successive graphene layers results in a reduction of this value to 190 meV for bilayer graphene. The opening of an energy band gap, whose width is inversely dependent on the thickness, is also reported. These measurements emphasize the potentialities of the Si-flux assisted MBE technique, more particularly for homogeneous low thickness graphene growth on the C-face of SiC

STM study of site selective hydrogen adsorption on Si(111) 7×7

Adsorption of atomic hydrogen has been studied by scanning tunneling microscopy (STM) and photoelectron spectroscopy with a focus on the different adsorption sites provided by the Si(111) 7×7 surface. At low temperature, the hydrogen atoms adsorb preferentially on adatoms while at elevated temperatures the rest atoms are the first to become hydrogen terminated. The hydrogen-terminated rest atoms are no longer visible in the STM images and the surrounding adatoms appear brighter compared to the clean 7×7 surface. This indicates that there is a local charge transfer back to the adatoms from the rest atoms. Three kinds of modified triangular subunit cells of the 7×7 reconstruction have been identified corresponding to one, two, and three hydrogen-terminated rest atoms, respectively. A detailed study of the apparent height using STM line profiles through the adatom and rest atom positions on the surface is presented. These line profiles show a characteristic and reproducible variation of the apparent heights of the adatoms for the different kinds of triangular subunit cells and the changes are interpreted in terms of charge transfer. The very local nature of the charge transfer is concluded from the fact that only the hydrogen termination of neighboring rest atoms is significantly affecting the apparent height of an adatom