Table 1.
Defect Type | Configuration | Ncore | Formation Energy (eV) | Energy Per Dislocation(5–7 pair) (eV) | Migration Energy (eV) | Refs. |
---|---|---|---|---|---|---|
SW | 55–77 | 2 | 4.9 | 2.5 | 10 | [230–232] |
Inverse SW | 57–57 | 2 | 5.8 | 2.9 | [231] | |
SV | 5–9 | 7.3– 7.5 | 1.2– 1.4 | [229] | ||
Double vacancy | 5–8-5 | 7.2– 7.9 | 7 | [229,233] | ||
555–777 | 6.4– 7.5 | 6 | [234,284] | |||
Adatom | 6– 7 | 0.4 | [235] | |||
Adatom–SV pair | 14 | [231] | ||||
Dislocation | 7.5 | [207] | ||||
Linear GB | 0.338 eV/Å | 2.2 | [207,228] | |||
0.284 eV/Å | 1.3 | [207,228] | ||||
Rotational GB | C3 | 13 | 9.3 | 3.1 | [228] | |
C6(1,1) | 24 | 7.0 | 1.2 | [228] | ||
C6(2,1) | 54 | 19.9 | 3.3 | [228] |