Surface structures of magnetostrictive D03-Fe3Ga(0 0 1)

First-principles total energy calculations and experimental measurements were performed to study the surface reconstructions of magnetostrictive Fe3Ga alloy. The behavior was evaluated in bulk by compressing stretching its lattice parameter. Results demonstrate two thermodynamically stable surfaces, 1x1 3x1 reconstructions. is an ideally FeGa terminated whereas also but it has a first-layer Fe atom substituted Ga every three unit-cells, forming stripe-like domain patterns. Tersoff-Hamann scanning tunneling microscopy simulations obtained compared with results. We found good agreement between theory experiment, which distance rows ~1.23 nm. substrate-induced strain increases stability reconstruction. Here we have demonstrated that Ga/Fe atomic exchanges lead Clarification present on alloys important step towards understanding surfaces poses this system as potential candidate be used part perpendicular magnetic tunnel junctions due existing anisotropy effect when grown different substrates.