Fabrication and properties of silicene and silicene–graphene layered structures on Ir (111)

Meng Lei^a),^b), Wang Ye-Liang†^b), Zhang Li-Zhi^b), Du Shi-Xuan^b), Gao Hong-Jun‡^b)

(a) Top view of the overall electron localization function (ELF) of the relaxed model with an ELF value of 0.6, demonstrating a continuity of the silicene layer. (b)–(d) The ELFs of the cross section between silicon pairs: (b) top-bridge pair; (c) fcc-bridge pair, and (d) hcp-bridge pair, showing the covalent interaction existing between each pair of silicon atoms. The pairs are depicted by the dashed-line ellipses; (e) ELF of the cross section between the silicon atom at hcp hollow site and its nearest iridium atom. The ELF value is in a range of green–blue region (about 0.38), indicating an electrostatic interaction. The color scale is shown on the right side.^{[ 73 ]}