Dispersion-Corrected Density Functional Theory Investigations of Structural and Electronic Properties of Bulk MoS2: Effect of Uniaxial Strain
Strain-dependent structural and electronic properties of MoS2 materials are investigated using first principles calculations. The structural and electronic band structures of the MoS2 with relaxed unit cells are optimized and calculated by the dispersion-corrected density functional theory (DFT-D2)....
| Main Authors: | , , |
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| Format: | Online |
| Language: | English |
| Published: |
Springer US
2015
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4633525/ |