Theoretical Investigation of Strain and Doping on the Raman Spectra of Monolayer MoS        <sub xmlns='http://www.wiley.com/namespaces/wiley'>2</sub>2

Kukucska G.; Koltai J.

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Theoretical Investigation of Strain and Doping on the Raman Spectra of Monolayer MoS ₂2

机译：单层MOS拉曼光谱的菌株和掺杂的理论研究 _{2 2}

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> Two‐dimensional heterostructures are generally extremely sensitive to perturbations due to the large surface–volume ratio. A widely used non‐destructive experimental technique to characterize these perturbations is the Raman spectroscopy. However, vibrational frequencies of monolayer MoS ₂ is proven to be non‐sensitive to perturbations such as strain and doping. In order to characterize the effect of these perturbations to the spectra we compute the frequencies and Raman intensities of monolayer MoS ₂ on the ab initio level. In agreement with previous experimental works, we show that the frequencies of the Raman active peaks ( A 1 ′ and E ′ ) are rather non‐sensitive to strain or doping. On the other hand, we demonstrate that the intensity ratio depends strongly on the strain ? thus it can be used as a supplementary method to characterize strain in the samples.

机译： > 由于大的表面积比，二维异质结构通常对扰动非常敏感。广泛使用的非破坏性实验技术表征这些扰动是拉曼光谱。但是，单层MOS的振动频率 _{2 被证明对扰动是不敏感的，例如应变和掺杂。为了表征这些扰动对光谱的影响，我们计算单层MOS的频率和拉曼强度 _{2 在这一点 abinio 等级。与以前的实验工作一致，我们表明拉曼活跃峰的频率（ a 1 ' 和 E ' ）对菌株或掺杂是不敏感的。另一方面，我们证明强度比在菌株上强烈取决于？因此，它可以用作在样品中表征应变的补充方法。}}

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《Physica status solidi, B. Basic research》 |2017年第11期|共1页
作者
Kukucska G.; Koltai J.;
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作者单位

Department of Biological Physics E?tv?s Loránd UniversityPázmány Péter sétány 1/A 1117 Budapest Hungary;

Department of Biological Physics E?tv?s Loránd UniversityPázmány Péter sétány 1/A 1117 Budapest Hungary;

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正文语种 eng
中图分类固体物理学;
关键词
ab initio calculations; MoS 2; Raman spectroscopy; strain; two‐dimensional materials;

机译：AB Initio计算;MOS 2;拉曼光谱;应变;二维材料;

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Theoretical Investigation of Strain and Doping on the Raman Spectra of Monolayer MoS ₂2