First-principles calculations of solute–vacancy interactions in aluminum
Zhang Sha-Sha1, †, Yao Zheng-Jun1, Kong Xiang-Shan2, ‡, Chen Liang2, Qin Jing-Yu2
Comparison of overall solute–□ binding energy EbSol-□, the distortion binding energy (Ebd), and electronic binding energy (Ebe) between supercell sizes containing108 atoms and 64 atoms.
