First-Principles Study on the Effect of Strain on Single-Layer Molybdenum Disulfide
Abstract
:1. Introduction
2. Calculation Model and Method
3. Results and Discussion
3.1. Energy Band
3.2. Density of States
3.3. Thermodynamic Properties and Raman Spectrum
4. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Conflicts of Interest
References
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Strain | −2.4% | −1.6% | −0.8% | 0 | 0.8% | 1.6% | 2.4% |
Lattice constant/Å | 3.08416 | 3.10944 | 3.13472 | 3.160 | 3.18528 | 3.21056 | 3.23584 |
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Chong, C.; Liu, H.; Wang, S.; Yang, K. First-Principles Study on the Effect of Strain on Single-Layer Molybdenum Disulfide. Nanomaterials 2021, 11, 3127. https://doi.org/10.3390/nano11113127
Chong C, Liu H, Wang S, Yang K. First-Principles Study on the Effect of Strain on Single-Layer Molybdenum Disulfide. Nanomaterials. 2021; 11(11):3127. https://doi.org/10.3390/nano11113127
Chicago/Turabian StyleChong, Chen, Hongxia Liu, Shulong Wang, and Kun Yang. 2021. "First-Principles Study on the Effect of Strain on Single-Layer Molybdenum Disulfide" Nanomaterials 11, no. 11: 3127. https://doi.org/10.3390/nano11113127