论文标题

通过拉曼光谱法抑制2D材料中光学声子分裂的实验证明

Experimental demonstration of the suppression of optical phonon splitting in 2D materials by Raman spectroscopy

论文作者

De Luca, Marta, Cartoixà, Xavier, Indolese, David I., Martín-Sánchez, Javier, Watanabe, Kenji, Taniguchi, Takashi, Schönenberger, Christian, Trotta, Rinaldo, Rurali, Riccardo, Zardo, Ilaria

论文摘要

拉曼光谱法是研究薄层2D材料的最扩展的实验技术之一。为了对新型2D材料的拉曼光谱进行完整的理解和建模,通常有必要将实验研究结合到密度功能性理论计算中。我们提供了极性2D与3D系统的基本不同行为的实验证明,偶极 - 偶极相互作用的效果,这在2D系统中最终导致缺乏光学声子分裂,否则在3D材料中存在。我们证明,非分析校正(NAC)不应适当地对几层2D材料(例如WSE $ _ {2} $和H-BN)的拉曼光谱进行正确建模,从而证实了最近的理论预测[Nano Lett。 2017,17(6),3758-3763]。我们的发现得到了在倾斜样品上进行的测量结果,这些样品允许在薄片平面中增加光子矩的分量,从而明确地设置了最终的NAC的方向。我们还研究了层数的奇偶校验和逐层堆叠的类型对NACS对拉曼光谱的影响的影响。

Raman spectroscopy is one of the most extended experimental techniques to investigate thin-layered 2D materials. For a complete understanding and modeling of the Raman spectrum of a novel 2D material, it is often necessary to combine the experimental investigation to density-functional-theory calculations. We provide the experimental proof of the fundamentally different behavior of polar 2D vs 3D systems regarding the effect of the dipole-dipole interactions, which in 2D systems ultimately lead to the absence of optical phonons splitting, otherwise present in 3D materials. We demonstrate that non-analytical corrections (NACs) should not be applied to properly model the Raman spectra of few-layered 2D materials, such as WSe$_{2}$ and h-BN, corroborating recent theoretical predictions [Nano Lett. 2017, 17 (6), 3758-3763]. Our findings are supported by measurements performed on tilted samples that allow increasing the component of photon momenta in the plane of the flake, thus unambiguously setting the direction of an eventual NAC. We also investigate the influence of the parity of the number of layers and of the type of layer-by-layer stacking on the effect of NACs on the Raman spectra.

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