High-throughput computation of Raman spectra from first principles
Abstract Raman spectroscopy is a widely-used non-destructive material characterization method, which provides information about the vibrational modes of the material and therefore of its atomic structure and chemical composition. Interpretation of the spectra requires comparison to known references...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2023-02-01
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| Series: | Scientific Data |
| Online Access: | https://doi.org/10.1038/s41597-023-01988-5 |