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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 31(23), p. 16611-16622, 2021

DOI: 10.1039/d1cp02636d

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Simulated Raman spectra of bulk and low-dimensional phosphorus allotropes

Journal article published in 2021 by A. Impellizzeri ORCID, A. A. Vorfolomeeva ORCID, N. V. Surovtsev, A. V. Okotrub ORCID, C. P. Ewels ORCID, D. V. Rybkovskiy ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

The Placzek approximation with DFT accurately reproduces experimental Raman spectra for phosphorus allotropes. We explain bulk allotrope spectral features in black and white phosphorus, and predict spectra for phosphorus nanostructures.