Abstract: The electronic and vibrational properties of three different reconstructions of silicene on Ag(1 1 1) are calculated and compared to experimental results. The 2D epitaxial silicon layers, namely the (4 x 4), (root 13 x root 13) and (2 root 3 x 2 root 3) phases, exhibit different electronic and vibrational properties. Few peaks in the experimental Raman spectrum are identified and attributed to the vibrational modes of the silicene layers. The position and behavior of the Raman peaks with respect to the excitation energy are shown to be a fundamental tool to investigate and discern different phases of silicene on Ag( 1 1 1). (C) 2013 Elsevier B.V. All rights reserved.

Abstract: Silicene and germanene are the silicon and germanium counterparts of graphene, respectively. Recent experimental works have reported the growth of silicene on (1 1 1)Ag surfaces with different atomic configurations, depending on the growth temperature and surface coverage. We first theoretically study the structural and electronic properties of silicene on (1 1 1) Ag surfaces, focusing on the (4 x 4) silicene/Ag structure. Due to symmetry breaking in the silicene layer (nonequivalent number of top and bottom Si atoms), the corrugated silicene layer, with the Ag substrate removed, is predicted to be semiconducting, with a computed energy bandgap of about 0.3 eV. However, the hybridization between the Si 3p orbitals and the Ag 5s orbital in the silicene/(1 1 1)Ag slab model leads to an overall metallic system, with a distribution of local electronic density of states, which is related to the slightly disordered structure of the silicene layer on the (1 1 1)Ag surface. We next study the interaction of silicene and germanene with different hexagonal non-metallic substrates, namely ZnS and ZnSe. On reconstructed (0 0 0 1)ZnS or ZnSe surfaces, which should be more energetically stable for very thin layers, silicene and germanene are found to be semiconducting. Remarkably, the nature and magnitude of their energy bandgap can be controlled by an out-of-plane electric field, an important finding for the potential use of these materials in nanoelectronic devices. (C) 2013 Elsevier B. V. All rights reserved.

Abstract: In this work, photoelectric yield and electrical properties of several types of epitaxial erbium silicide on silicon Schottky diodes are studied, Different preparation conditions are used simultaneously on n- and p-Si(111) substrates for the 200 Angstrom thick silicide films. A last type of sample consists in 1.3 monolayer of epitaxial silicide with root 3 X root 3 superstructure on the Si substrate and covered by silver on the top. Photocurrent measurements are done as a function of photon energy at several temperatures. All these samples show barrier heights near 1 eV on p-type Si, even for the interface comprising only 1.3 monolayer of silicide whereas barrier heights on n-rype Si span the range from 0.28 to 0.67 eV for this last kind of sample, the sum of the barriers always exceeding the silicon band gap, These photoelectric results are confirmed by electrical characterisations, All these results show that the Fermi level is pinned 0.1 eV below the conduction band edge on p-type Si but shifts to various positions lower within the band gap on n-type Si. This fact leads to the hypothesis of a density of -7 interface states close to the charge change in the Si depletion zone from p- to n-type, namely 10(12) eV(-1) cm(-2). Although some inhomogeneities and defects at the interface are detected by electron microscopy for samples annealed at 750 degrees C, Fermi level position seems rather insensitive to the structural details of the interface while the silicide thickness plays a role on n-type Si.