Raman fingerprint of the graphene buffer layer grown on the Si-terminated face of 4H-SiC(0001): Experiment and theory

IF 2.4 3区 化学 Q2 SPECTROSCOPY Journal of Raman Spectroscopy Pub Date : 2023-12-19 DOI:10.1002/jrs.6642
Teodor Milenov, Peter Rafailov, Rositsa Yakimova, Ivan Shtepliuk, Valentin Popov
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Abstract

In this work, we present the results of measurements of the Raman spectrum of the √3x√3R30° reconstruction of graphene grown on 4H-SiC(0001), the so-called buffer layer. The extracted Raman spectrum of the buffer layer shows bands, different from those of graphene, which can be attributed to the interaction of the buffer layer with the SiC substrate. In particular, in the high-wavenumber region, at least three bands are observed in the wavenumber regions 1,350–1,420, 1,470–1,490 and 1,520–1,570 cm−1. The assignment of the buffer layer bands is supported here by tight-binding simulations of the one-phonon density of states for structures with a sufficiently large number of Si-C bilayers for reaching convergence. The converged phonon density of states is found to be in semi-quantitative agreement with the latter two bands, and therefore, the tight-binding predictions of the lattice dynamics of the structure can be used for their assignment to buffer layer vibrations. Namely, the Raman band at about 1,550 cm−1 can be assigned to modified in-plane optical phonon branches of graphene, while the Raman band at about 1,490 cm−1 can be assigned to modified folded parts of these branches inside the Brillouin zone of the buffer layer and can be considered as a Raman fingerprint of the buffer layer.

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生长在 4H-SiC(0001) 硅端面的石墨烯缓冲层的拉曼指纹:实验与理论
在这项工作中,我们展示了在 4H-SiC(0001) 上生长的石墨烯(即所谓的缓冲层)的 √3x√3R30° 重构拉曼光谱的测量结果。提取的缓冲层拉曼光谱显示出不同于石墨烯的频带,这些频带可归因于缓冲层与碳化硅基底的相互作用。特别是在高波长区,在 1,350-1,420 厘米、1,470-1,490 厘米和 1,520-1,570 厘米-1 波长区至少观察到三条带。对具有足够多 Si-C 双层结构的单声子状态密度进行的紧密结合模拟支持了缓冲层带的指定。收敛后的声子态密度与后两个带具有半定量的一致性,因此,结构晶格动力学的紧密结合预测可用于将它们分配给缓冲层振动。也就是说,约 1,550 cm-1 处的拉曼频带可归属于石墨烯的改良面内光学声子分支,而约 1,490 cm-1 处的拉曼频带可归属于缓冲层布里渊区内这些分支的改良折叠部分,并可视为缓冲层的拉曼指纹。
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来源期刊
CiteScore
5.40
自引率
8.00%
发文量
185
审稿时长
3.0 months
期刊介绍: The Journal of Raman Spectroscopy is an international journal dedicated to the publication of original research at the cutting edge of all areas of science and technology related to Raman spectroscopy. The journal seeks to be the central forum for documenting the evolution of the broadly-defined field of Raman spectroscopy that includes an increasing number of rapidly developing techniques and an ever-widening array of interdisciplinary applications. Such topics include time-resolved, coherent and non-linear Raman spectroscopies, nanostructure-based surface-enhanced and tip-enhanced Raman spectroscopies of molecules, resonance Raman to investigate the structure-function relationships and dynamics of biological molecules, linear and nonlinear Raman imaging and microscopy, biomedical applications of Raman, theoretical formalism and advances in quantum computational methodology of all forms of Raman scattering, Raman spectroscopy in archaeology and art, advances in remote Raman sensing and industrial applications, and Raman optical activity of all classes of chiral molecules.
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