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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-...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer US
2015
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| 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 |