T. Deutsch et al., COMPUTER-SIMULATION OF AU(001) NI MULTILAYERS - COMPARISON WITH EXPERIMENTS/, Journal of physics. Condensed matter, 7(32), 1995, pp. 6407-6421
The structure of thin Ni film on Au(001) and Au(001)/Ni multilayers is
studied as a function of the thickness of Ni using a semiempirical po
tential based on the tight-binding second-moment approximation. It is
shown that the stable structure is pseudomorphic for a thickness less
than five monolayers and [2 (1) over bar (1) over bar 0] hcp or 4H for
a greater thickness with close-packed planes perpendicular to the int
erfaces. Moreover, we show that a thin Ni film grown on Au(001) substr
ate is covered by at least one monolayer of Au. We compare our results
with high-resolution electronic microscopy (HREM) and x-ray diffracti
on.