  We report on a study of (001) oriented fcc Fe-Ni alloy surfaces which
combines first-principles calculations and low-temperature STM experiments.
Density functional theory calculations show that Fe-Ni alloy surfaces are
buckled with the Fe atoms slightly shifted outwards and the Ni atoms inwards.
This is consistent with the observation that the atoms in the surface layer can
be chemically distinguished in the STM image: brighter spots (corrugation
maxima with increased apparent height) indicate iron atoms, darker ones nickel
atoms. This chemical contrast reveals a c2x2 chemical order (50% Fe) with
frequent Fe-rich defects on Invar alloy surface. The calculations also indicate
that subsurface composition fluctuations may additionally modulate the apparent
height of the surface atoms. The STM images show that this effect is pronounced
compared to the surfaces of other disordered alloys, which suggests that some
chemical order and corresponding concentration fluctuations exist also in the
subsurface layers of Invar alloy. In addition, detailed electronic structure
calculations allow us to identify the nature of a distinct peak below the Fermi
level observed in the tunneling spectra. This peak corresponds to a surface
resonance band which is particularly pronounced in iron-rich surface regions
and provides a second type of chemical contrast with less spatial resolution
but one that is essentially independent of the subsurface composition.
