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  1. Abstract

    The investigation of twisted stacked few‐layer MoS2has revealed novel electronic, optical, and vibrational properties over an extended period. For the successful integration of twisted stacked few‐layer MoS2into a wide range of applications, it is crucial to employ a noninvasive, versatile technique for characterizing the layered architecture of these complex structures. In this work, we introduce a machine learning‐assisted low‐frequency Raman spectroscopy method to characterize the twist angle of few‐layer stacked MoS2samples. A feedforward neural network (FNN) is utilized to analyze the low‐frequency breathing mode as a function of the twist angle. Moreover, using finite difference method (FDM) and density functional theory (DFT) calculations, we show that the low‐frequency Raman spectra of MoS2are mainly influenced by the effect of the nearest and second nearest layers. A new improved linear chain model (TA‐LCM) with taking the twist angle into the consideration is developed to understand the interlayer breathing modes of stacked few‐layer MoS2. This approach can be extended to other 2D materials systems and provides an intelligent way to investigate naturally stacked and twisted interlayer interactions.

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  2. Abstract

    PdSe2, an emerging 2D material with a novel anisotropic puckered pentagonal structure, has attracted growing interest due to its layer‐dependent electronic bandgap, high carrier mobility, and good air stability. Herein, a detailed Raman spectroscopic study of few‐layer PdSe2(two to five layers) under the in‐plane uniaxial tensile strain up to 3.33% is performed. Two of the prominent PdSe2Raman peaks are influenced differently depending on the direction of strain application. The mode redshifts more than the mode when the strain is applied along thea‐axis of the crystal, while the mode redshifts more than the mode when the strain is applied along theb‐axis. Such an anisotropic phonon response to strain indicates directionally dependent mechanical and thermal properties of PdSe2and also allows the identification of the crystal axes. The results are further supported using first‐principles density‐functional theory. Interestingly, the near‐zero Poisson’s ratios for few‐layer PdSe2are found, suggesting that the uniaxial tensile strain can easily be applied to few‐layer PdSe2without significantly altering their dimensions at the perpendicular directions, which is a major contributing factor to the observed distinct phonon behavior. The findings pave the way for further development of 2D PdSe2‐based flexible electronics.

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  8. The d electron plays a significant role in determining and controlling the properties of magnetic materials. However, the d electron transitions, especially d–d emission, have rarely been observed in magnetic materials due to the forbidden selection rules. Here, we report an observation of d–d emission in antiferromagnetic nickel phosphorus trisulfides (NiPS3) and its strong enhancement by stacking it with monolayer tungsten disulfide (WS2). We attribute the observation of the strong d–d emission enhancement to the charge transfer between NiPS3 and WS2 in the type-I heterostructure. The d–d emission peak splits into two peaks, D1 and D2, at low temperature below 150 K, from where an energy splitting due to the trigonal crystal field is measured as 105 meV. Moreover, we find that the d–d emissions in NiPS3 are nonpolarized lights, showing no dependence on the zigzag antiferromagnetic configuration. These results reveal rich fundamental information on the electronic and optical properties of emerging van der Waals antiferromagnetic NiPS3.

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