Electronic structures and elastic properties of monolayer and bilayer transition metal dichalcogenides MX2 ( M = Mo, W; X = O, S, Se, Te): A comparative first-principles study

Electronic structures and elastic properties of monolayer and bilayer transition metal dichalcogenides MX₂ ( M = Mo, W; X = O, S, Se, Te): A comparative first-principles study

Zeng Fan^a),^b),^c), Zhang Wei-Bing†^b), Tang Bi-Yu‡^a),^c)

Top view (a) and side view (b) of the monolayer TMDCs. Panels (c) and (d) are stacking structures for bilayer. Yellow balls and green balls represent metal and chalcogen atoms respectively. Here, d _{x − x} and d _{m − m} mean the bond lengths of two X atoms and two M atoms, respectively.