The segregation of Cr at the Fe-Cr alloy surface is essential in the formation of a thin, corrosion-resistant oxide film. Recent angle-resolved x-ray photoelectron spectroscopy measurements indicated Cr segregation at a high temperature in vacuum. However, two independent ab initio density functional theory calculations within the local density approximation (LDA) suggested no segregation. We have calculated the segregation energy for Cr at the Fe-Cr(001) surface using the all-electron full-potential linearized augmented plane wave method within the generalized gradient approximation (GGA). Our GGA results support the previous LDA investigations. The disagreement between experiment and theory remains unresolved.
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