Figure 2. Calculated austenite structures of Ni2MnGa. (a) Unperturbed austenite unit cell, (b) 2×2×2 supercell with Mn↔Ga antisite pair indicated by the blue arrow. Red arrow emphasizes the antiparallel orientation of MnGa with respect to MnMn; the nearest Mn neighbors are highlighted by yellow circles. (c) Ni2MnGa structure with one antiphase boundary and ferromagnetic spin structure, (d+e) with two differently spaced antiphase boundaries and antiferromagnetic spin structure.

Figure 2. Calculated austenite structures of Ni2MnGa. (a) Unperturbed austenite unit cell, (b)
2×2×2 supercell with Mn↔Ga antisite pair indicated by the blue arrow. Red arrow emphasizes
the antiparallel orientation of MnGa with respect to MnMn; the nearest Mn neighbors are highlighted
by yellow circles. (c) Ni2MnGa structure with one antiphase boundary and ferromagnetic
spin structure, (d+e) with two differently spaced antiphase boundaries and antiferromagnetic spin
structure.