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AbstractAbstract
[en] Raman spectra of few-layer phosphorene have been systematically studied using density functional theory calculations. We find that due to the interlayer van der Waals interactions, the low-frequency rigid layer Ag breathing mode and B1g shear mode can shift by as much as 45.1 cm−1 and 38.5 cm−1, respectively, as the layer numbers increase from 2L to 5L. In addition, a typical characteristic for the experimentally observable mode (∼460 cm−1 in bulk) is identified. Interestingly, this mode changes from coupled in-plane and out-of-plane vibrations in single layer to pure in-plane vibrations in a few layers and the corresponding frequencies vary by as much as over 10 cm−1. We argue that this Raman frequency variation might be used to experimentally characterize the thickness of this intriguing 2D layered material. (paper)
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Available from http://dx.doi.org/10.1088/0953-8984/27/18/185302; Country of input: International Atomic Energy Agency (IAEA)
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