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Dispersion-Corrected Density Functional Theory Investigations of Structural and Electronic Properties of Bulk MoS(2): Effect of Uniaxial Strain

Strain-dependent structural and electronic properties of MoS(2) materials are investigated using first principles calculations. The structural and electronic band structures of the MoS(2) with relaxed unit cells are optimized and calculated by the dispersion-corrected density functional theory (DFT-...

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Detalles Bibliográficos
Autores principales: Nguyen, Chuong V., Hieu, Nguyen N., Nguyen, Duong T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer US 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4633525/
https://www.ncbi.nlm.nih.gov/pubmed/26537132
http://dx.doi.org/10.1186/s11671-015-1099-5