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 |
| Construction of a 5|5|8 domain boundary in silicene. (a) Pure silicene lattices 1 and 2. (b) Lattice 2 rotates 180° along X direction. (c) Two lattices move 2 a ( a is the bond length of Si–Si in silicene) along the direction indicated by the black arrows. (d) Silicene lattice with the 5|5|8 domain boundary after the overlapped silicon atoms are deleted. |
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