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Additionally, the migration barrier crossover composition-based on the situation where Ni or Fe atom jumps have lower energy barrier than the other one-is introduced. KMC simulations indicate that the interplay between composition dependent crossover of migration energy and geometrical site percolation explains the non-monotonic concentration-dependence of atomic diffusion coefficients.We present the derivation and implementation of complex, frequency-dependent polarizabilities for excited states using the algebraic-diagrammatic construc
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