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)

The band structures for monolayer TMDCs calculated using PBE. Panels (a)–(h) represent MoO₂, MoS₂, MoSe₂, MoTe₂, WO₂, WS₂, WSe₂, and WTe₂, respectively. The Fermi energy is marked with light gray dashed lines. The band gaps are shown with red arrows.