Origin of large magnetostriction in FeGa alloys

Using the highly precise full potential linearized augmented plane wave method, the phase stability, magnetism, and magnetostriction of Fe3Ga alloys were investigated. The magnetostrictive coefficients strongly depend on the atomic arrangement. The B-2-like structure, although it is unstable in the small unit cell chosen here, appears to play a crucial rule for the large positive magnetostriction in the FeGa alloys as observed recently. Electronic origin of enhancement in magnetostriction is discussed in terms of density of states and band structures. (C) 2002 American Institute of Physics.