First principles study of structural, vibrational and electronic properties of graphene-like MX2 (M=Mo, Nb, W, Ta; X=S, Se, Te) monolayers

• Published in: Physica. B, Condensed matter Vol. 406; no. 11; pp. 2254 - 2260
• Main Authors: Ding, Yi, Wang, Yanli, Ni, Jun, Shi, Lin, Shi, Siqi, Tang, Weihua
• Format: Journal Article
• Language: English
• Published: Kidlington Elsevier 15-05-2011
• Subjects: Condensed matter: electronic structure, electrical, magnetic, and optical properties; Electron density of states and band structure of crystalline solids; Electron states; Electron states and collective excitations in thin films, multilayers, quantum wells, mesoscopic and nanoscale systems; Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures; Exact sciences and technology; Metal-insulator transitions and other electronic transitions; Physics; Semiconductor compounds; Thin films and multilayers; Ultrathin films; Band structure; First principles calculation; Semiconductor materials; Transition element compounds; Doping; Electronic density of states; Lattice parameters; Graphene-like structure; Chalcogenides; Electronic structure; Vibrational modes; Density functional method; Semiconductor metal transition
• ISSN: 0921-4526; 1873-2135
• DOI: 10.1016/j.physb.2011.03.044