Interactions between vacancies and prismatic Σ3 grain boundary in <italic>α</italic>-Al<sub>2</sub>O<sub>3</sub>: First principles study

Interactions between vacancies and prismatic Σ3 grain boundary in α-Al₂O₃: First principles study

Wang Fei^{1, 2}, Lai Wen-Sheng^{1, †,}, Li Ru-Song², He Bin², Li Su-Fen²

(a) Three possible configurations of O-vacancy chains in the GB areas. The O-vacancy chain on the GB plane (GB+1) marked by the number 1 (2) is indicated by the solid line with arrays (dashed line) and the zigzag chain between GB-1 and GB planes marked by the number 3 is shown by the dashed lines with arrays. (b) The side view of the zigzag O vacancy chain denoted by the number 1 on the GB plane.