Fig. 5: Plots of \({S}_{\alpha \alpha^{\prime} }^{(2)}({\bf{k}})\) for the AlxCrFeCoNi alloy around various high-symmetry lines of the irreducible Brillouin zone for fcc (top row) and bcc (bottom row) lattices. | npj Computational Materials

Fig. 5: Plots of \({S}_{\alpha \alpha^{\prime} }^{(2)}({\bf{k}})\) for the AlxCrFeCoNi alloy around various high-symmetry lines of the irreducible Brillouin zone for fcc (top row) and bcc (bottom row) lattices.

From: Structure, short-range order, and phase stability of the AlxCrFeCoNi high-entropy alloy: insights from a perturbative, DFT-based analysis

Fig. 5

\({S}_{\alpha \alpha^{\prime} }^{(2)}({\bf{k}})\) represents the lattice Fourier transform of an effective pair interaction between chemical species. The profile and relative sizes of of \({S}_{\alpha \alpha^{\prime} }^{(2)}({\bf{k}})\) indicate the likely strength and nature of pairwise atom-atom correlations in the solid solution. It can be seen that the introduction of Al to the system dramatically increases the strength of atom-atom correlations. Interactions are generally stronger when the underlying lattice is bcc compared to fcc.

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