Domain boundaries in silicene: Density functional theory calculations on electronic properties
Xiao Hong-Jun, Zhang Li-Zhi, Du Shi-Xuan†
, Gao Hong-Jun
, Gao Hong-Jun 
Domain boundaries in silicene: Density functional theory calculations on electronic properties |
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Xiao Hong-Jun, Zhang Li-Zhi, Du Shi-Xuan†
, Gao Hong-Jun |
| Relaxed configurations of the 1D defect structures for the 5|5|8 defect (a) and the 1D 4|8 defect (b), where the black dash rectangles in panels (a) and (b) indicate the supercells used in the calculations, the blue lines indicate the mirror line. The respective buckling distances (in unit Å) are shown in the bottom of panels (a) and (b). The bond lengths (in unit Å) and bond angles are shown in panels (c) and (d), which are the zoom-in of panels (a) and (b), respectively. |
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