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Sökning: swepub > Johansson Börje > Refereegranskat > (2010-2011) > Lång J. J. K.

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  • Kuzmin, M., et al. (författare)
  • Atomic structure of Yb/Si(100)(2X6) : Interrelation between the silicon dimer arrangement and Si 2p photoemission line shape
  • 2010
  • Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121. ; 82:11, s. 113302
  • Tidskriftsartikel (refereegranskat)abstract
    • Combining photoelectron spectroscopy and density-functional theory calculations, we have studied the atomic geometry of Yb/Si(100)(2 X 6) reconstruction and the mechanisms responsible for its stabilization as well as the influence of this reconstruction on Si 2p core-level photoemission. The analysis of measured and calculated surface core-level shifts supports the recently proposed model of the Yb/Si(100)(2 X 6). It involves, in agreement with valence-band measurements, unbuckled (symmetrical) silicon dimers, leading to unusually narrowed Si 2p line shape as compared to those of related systems. The origin of the symmetrical dimers in the (2 X 6) structure is discussed in the context of previous results in literature.
  • Lang, J. J. K., et al. (författare)
  • Ab initio and scanning tunneling microscopy study of an indium-terminated GaAs(100) surface : An indium-induced surface reconstruction change in the c(8x2) structure
  • 2010
  • Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121. ; 81:24, s. 245305
  • Tidskriftsartikel (refereegranskat)abstract
    • Technologically useful indium- (In) terminated c(8 x 2)-reconstructed GaAs(100) substrate surface has been studied by first-principles calculations and scanning tunneling microscopy (STM) measurements. Our total-energy calculations demonstrate the stability of four different so-called zeta a structures with In monomer rows and In coverage between 0.5 and 2 monolayers on the GaAs(100) substrate. Thus, we introduce a surface system, which stabilizes the zeta a reconstruction. Furthermore, an interesting trend is found. Atomic structure of the c(8 x 2) reconstruction depends on the surface-layer cation and substrate volumes, which, in principle, allows to tune the surface structure by cation adsorption. This phenomenon is related to the peculiar c(8 x 2) atomic surface structure, which shows mixed surface layer, including both anions and cations, and uncommon metallic-type cations in the zeta a structure, which do not show covalent bonds. Our results predict a structural transition from the zeta structure to the zeta a structure as the surface cation size is increased at 0 K. The found transition is probably related to the disordered surface structures (consisting of zeta and zeta a building blocks) found experimentally by x-ray diffraction at room temperature. Comparison of the STM images, calculated for various c(8 x 2) models, with the former and present measured STM images of In/GaAs(100) c(8 x 2) supports the presence of stable zeta a reconstructions.
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