Corrigendum to “First-principles study of the Σ3(112) grain boundary in Fe-rich Fe-Cr alloys” [Scripta Materialia 181 (2020) 140-143] (Scripta Materialia (2020) 140-143 (S1359646220301056), (10.1016/j.scriptamat.2020.02.029))

• The authors regret that in producing Figs. 1 and 2, and Table S1 in our article an inadvertent error was made when calculating the bulk reference energy using an incorrect lattice setting. The bulk reference energy was recalculated using the correct lattice setting. Correction of the error results in a systematic shift in the grain boundary (GB) energies towards higher energies; see the corrected figures and table below. The change weakens the effect of Cr on the GB energy of chemically homogenous Fe1-xCrx alloys as shown in Fig. 1 (squares, red line), but doesn't influence the trends for chemically inhomogeneous Fe1-xCrx alloys as shown in Fig. 2 and Table S1. The correction has no effect on the analysis of the results and the conclusions presented in the original paper. The authors would like to apologise for any inconvenience caused.

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NATURVETENSKAP  -- Fysik -- Den kondenserade materiens fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences -- Condensed Matter Physics (hsv//eng)

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