High-Throughput Computation of ab initio Raman Spectra for Two-Dimensional Materials
Abstract Raman spectra play an important role in characterizing two-dimensional materials, as they provide a direct link between the atomic structure and the spectral features. In this work, we present an automatic computational workflow for Raman spectra using all-electron density functional pertur...
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| Main Authors: | , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-03-01
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| Series: | Scientific Data |
| Online Access: | https://doi.org/10.1038/s41597-025-04593-w |
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