A library of ab initio Raman spectra for automated identification of 2D materials
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DOI: 10.1038/s41467-020-16529-6
Abstract: Raman spectroscopy is frequently used to identify composition, structure and layer thickness of 2D materials. Here, we describe an efficient first-principles workflow for calculating resonant first-order Raman spectra of solids within third-order perturbation theory employing… read more here.
Keywords: raman; initio raman; library initio; automated identification ... See more keywords