Ga(001)*

First-principles total energy calculations and STM experiments were performed to study the surface reconstruction on the magnetostrictive Fe₃Ga alloy. The inverse magnetostrictive behavior was evaluated in the bulk by varying its lattice parameter. Surface analysis demonstrates two thermodynamically stable surfaces, the ideal FeGa-terminated 1×1 and the Ga-substituted 3×1. The latter forms row-like surface structures. Tersoff–Hamann STM simulations were obtained and found excellent agreement with the experiment, in which the distance between rows is ~12.3 Å. Analysis of the magnetic moments in the reconstructions showed that their behavior is affected by a surface effect, as well as by the inverse magnetostriction of the structure.