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At low temperatures the interactions between like-oriented steps on a surfaceare believed to be dominated by elastic repulsions. This belief is based on theresults of the classical continuum field theories of elasticity. Electrostaticinteractions are also believed to have a role but no theory has yet beendeveloped for their description. In our paper we critically revisit theassumptions of these theories, and found that the ab initio approaches, basedon the Born-Oppenheimer distinction between the valence electrons and the ionsdegrees of freedom, allow to identify distinctly both elastic and electrostaticcontributions to the step energy and the step interaction energy. By usingab-initio calculations and specifying to the case of the technologicallyimportant (001)surface of GaAs, we show that the elastic interactions are notalways repulsive and attractive step interactions between like-oriented stepsare also possible. Furthermore, the repulsiveness and attractiveness of thestep interactions depend on the step atomic structure.

Attractive interactions between like-oriented surface steps from an ab initio perspective: Role of the elastic and electrostatic contributions