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We applied the concept of the generalized stacking faults energy to calculate the effect of the slip on the magnetocrystalline anisotropy of FePt nanostructures. We calculated γ-surface energy of L1 0 FePt by shifting two crystallites against each other using slab approach for slips in (1 1 0) and (0 0 1) planes in regular lattice and in antiphase boundary (APB) along the path connecting the high symmetry points of γ-surface. We estimated the energy density of unstable point of γ-surface of regular slip and APB slip to be about 1.05 J/m 2 and 0.58 J/m 2 , respectively, while the brittle cleavage energy densities are of 1.74 J/m 2 and 1.1 J/m 2 , respectively. Local magnetic moments do not change significantly in the presence of the slip. We find that the slip in (1 1 0) and (0 0 1) planes affect strongly the magnetocrystalline anisotropy energy (MAE) increasing it for the slip in regular L1 0 FePt, while decreasing it in case of slip in APB plane. We found MAE change associated with the slip at the unstable point of γ-surface is substantial with the energy densities of 0.663 J/m 2 and 1.74 J/m 2 for (1 1 0) and (0 0 1) planes, respectively. Thus, extended defects may affect the magnetization reversal of FePt nanoparticles. |
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