Effect of P impurity on NiAlΣ5 grain boundary from first-principles study
Hu Xue-Lan1, †, Zhao Ruo-Xi1, Luo Yang1, Song Qing-Gong2
       

(color online) Variations of formation energy with Δμ for the NiAl GB occupied by P atoms at different sites. The minimum value of Δμ is , and the maximum is .