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- Title
Raman detection of hidden phonons assisted by atomic point defects in a two-dimensional semimetal.
- Authors
Yuan, Hui; Zhou, Xieyu; Cao, Yan; Bian, Qi; Zhang, Zongyuan; Sun, Haigen; Li, Shaojian; Shao, Zhibin; Hu, Jin; Zhu, Yanglin; Mao, Zhiqiang; Ji, Wei; Pan, Minghu
- Abstract
Defects usually have an important role in tailoring various properties of two-dimensional (2D) materials. However, optical detection of defects, especially single-atom point defects, is very challenging in 2D layers. Here, we report our systematic studies on the Raman-activated defect vibrational modes in 2D semimetallic material by combining Raman spectroscopy, density functional theory (DFT) calculation and scanning tunneling microscopy (STM). We observed three common Raman-active vibrational modes located at 95 ( A 1 g 2 ), 228 ( A 1 g 1 ), and 304 cm−1 ( B 1 g 1 ) in ZrSiTe few-layers, consistent with our theoretical calculations. Moreover, a pronounced mode sitting at 131.7 cm−1 was found in the ZrSiTe monolayer. This mode fades out quickly in the bilayer (2L) and eventually disappears in 4L. The high-resolution STM images and DFT calculations suggest this mode to be an intralayer shear mode at the Brillouin zone boundary which is activated by atomic point defects, and STM-based inelastic tunneling spectrum further confirms the existence of such a defect mode. The appearance of such 'forbidden' modes in Raman spectra may pave an avenue for the optical characterization of single-atom point defects in metallic 2D layers.
- Subjects
PHONONS; POINT defects; RAMAN spectroscopy; TWO-dimensional models; DENSITY functional theory
- Publication
NPJ 2D Materials & Applications, 2019, Vol 3, Issue 1, pN.PAG
- ISSN
2397-7132
- Publication type
Article
- DOI
10.1038/s41699-019-0093-7