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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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| Udgivet i: | Nanoscale Res Lett |
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| Main Authors: | , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Springer US
2015
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4633525/ https://ncbi.nlm.nih.gov/pubmed/26537132 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s11671-015-1099-5 |
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