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) Total densities of states for the clean, S4 and I8 cases, respectively, among which the Fermi energies are defined as being zero.