Structural investigation of the (110) surface of γ-Al4Cu9

Emilie Gaudry (1) , Ankit Shukla (1) , Thomas Duguet (1) , Julian Ledieu (1) , Marie-Cécile de Weerd (1) , Jean-Marie Dubois (1) , Vincent Fournée (1)

1 IJL - Institut Jean Lamour

We present a detailed study of the (110) surface of the γ-Al4Cu9 crystal using both experimental methods and first-principles calculations based on density-functional theory. Our experimental approach, using low-energy electron diffraction, scanning tunneling microscopy (STM) images, and x-ray photoelectron spectroscopy highlights the presence of two types of surface terminations. Combining experimental results and simulations provides many arguments to match the two observed surfaces with the two puckered terminations built from bulk truncation: (i) calculations show that these two puckered terminations present lower surface energies compared to another conceivable flat termination obtained also from bulk truncation, (ii) step height measurements are consistent with calculated interlayer spacings and (iii) simulated STM images are in reasonable agreement with the experimental ones and mirror the experimental voltage dependence.

Domaines: Science des matériaux [cond-mat.mtrl-sci]

Emilie Gaudry, Ankit Shukla, Thomas Duguet, Julian Ledieu, Marie-Cécile de Weerd, et al.. Structural investigation of the (110) surface of γ-Al4Cu9. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2010, 82 (8), pp.085411. ⟨10.1103/PhysRevB.82.085411⟩. ⟨hal-00977987⟩