Structure investigation of the (100) surface of the orthorhombic Al13Co4 crystal
(Result of the month 11/2009)

Experimental XPD patterns of (a) Al 2s and (b) Co 2p3/2 core levels measured on the Al13Co4 (100) surface with an Al Kα (1486.7 eV) x-ray source.
We present a detailed study of the (100) surface of the orthorhombic Al13Co4 crystal using both experimental and ab initio computational methods. This complex metallic alloy is an approximant of the decagonal Al-Ni-Co quasicrystalline phase. After sputter-annealing preparation of the surface at 1073 K, the low-energy electron diffraction pattern recorded exhibits a pseudotenfold symmetry with lattice parameters consistent with those of the bulk model. At this stage, scanning tunneling microscopy (STM) measurements reveal two different types of surface terminations. A comparison between these two surface structures and the bulk planes indicate that the terminations correspond either to an incomplete puckered layer (P) or to an incomplete flat layer (F). At 1173 K, the majority of the surface consists of P layer terminations. STM images calculated from our proposed surface model are in good agreement with experimental images. X-ray photoelectron diffraction patterns and single scattering cluster calculations further confirm that the local atomic arrangements present in the bulk model are preserved within the near-surface region.
(a) 20x20 nm2 high-resolution STM image presenting two successive terraces separated by a single-step height equal to a/2. The elongated hexagons (longest edge equal to 19 Å) are rotated from one puckered layer to the next one by 80°. (b) Atomically resolved STM image (10x10 nm2) ( recorded from T1. Bipentagonal motifs are highlighted on the image )[Inset: FFT calculated from T1 termination shown on (b)].(c)Atomically resolved STM image (10x10 nm2] measured on T2. The arrangements of bright features are highlighted by an atomic line and a hexagonal motif. (d) Corresponding FFT calculated from a (30x50 nm2) region of T2. Within the orthorhombic mesh, six intense spots forming an elongated hexagon are circled
(a) 20x20 nm2 STM image showing both T1 and T2 terminations. The orthorhombic lattice determined on the T1 region has been extended over the T2 layer. Inset (3x_3 nm2): magnification of the atomic arrangement circled on the STM image. The oblique net is outlined on this motif, which is often observed within the T2 structure. (b) Inset: schematic representation of the correspondence between the oblique net and the orthorhombic unit cell. Calculated diffraction pattern from the superstructure described in the inset. The most (black) and less (gray) intense Fourier spots are indicated in the pattern. (c) Superposition of the oblique net (crosses) and the complete puckered layer [ black (blue): Al atoms: gray (green) Co atoms]. (d) Correspondence between the crosses and atomic positions within the flat layer of the bulk model


Authors:
R. Addou, E. Gaudry, and Th. Deniozou*
Department CP2S, Institut Jean Lamour (UMR7198 CNRS-Nancy-Université-UPV-Metz), Ecole des Mines, Parc de Saurupt, 54042 Nancy Cedex, France

M. Heggen and M. Feuerbacher
Institut für Festkörperforschung, Forschungszentrum Jülich, 52425 Jülich, Germany

P. Gille
Department of Earth and Environmental Sciences, Crystallography Section, LMU, Theresienstr. 41, D-80333 München, Germany

Yu. Grin
Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str. 40, 01187 Dresden, Germany

R. Widmer and O. Gröning
EMPA, Nanotech @ Surfaces, Feuerwerkerstraße 39, CH-3602 Thun, Switzerland

V. Fournée, J.-M. Dubois, and J. Ledieu
Department CP2S, Institut Jean Lamour (UMR7198 CNRS-Nancy-Université-UPV-Metz), Ecole des Mines, Parc de Saurupt

 
This result has been obtained with :
EA 125
Variable Temperature UHV SPM

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