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 Fana),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.