First-principles calculations of solute–vacancy interactions in aluminum
Zhang Sha-Sha1, †, Yao Zheng-Jun1, Kong Xiang-Shan2, ‡, Chen Liang2, Qin Jing-Yu2
       

Differential charge density map for the solute–□ pair in the (1 0 0) and (0 1 –1) plane. Brown (gray in black/white) star and square denote solute atom and the vacancy, respectively, for [(a) and (d)] solute atom Nb, [(b) and (e)] solute atom Cu, and [(c) and (f)] solute atom Sb. Unit is e/Å3.