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Vibrational properties and Raman spectra of pristine and fluorinated blue phosphorene

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Abstract

Using density functional theory, we investigated the vibrational properties and Raman spectra of pristine blue phosphorene and fluorinated blue phosphorene. The fluorinated blue phosphorene possesses a Dirac cone at the K point (about 310 cm−1). The shape of the Dirac cone remains unchanged under different tensile strains. The Raman tensor and thus angle-dependent Raman intensities of all Raman active modes are calculated for the polarizations of scattered light parallel and perpendicular to that of the incident light. The characteristics of angle-dependent Raman intensities are discussed. Moreover, the polarization direction averaged non-resonant Raman spectra of pristine blue phosphorene and fluorinated blue phosphorene are compared with that of germanene and black phosphorene.

Graphical abstract: Vibrational properties and Raman spectra of pristine and fluorinated blue phosphorene

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Publication details

The article was received on 08 Sep 2018, accepted on 18 Oct 2018 and first published on 18 Oct 2018


Article type: Paper
DOI: 10.1039/C8CP05699D
Citation: Phys. Chem. Chem. Phys., 2018, Advance Article
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    Vibrational properties and Raman spectra of pristine and fluorinated blue phosphorene

    Z. Deng, Z. Li, W. Wang and J. She, Phys. Chem. Chem. Phys., 2018, Advance Article , DOI: 10.1039/C8CP05699D

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