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High-throughput density-functional perturbation theory phonons for inorganic materials
The knowledge of the vibrational properties of a material is of key importance to understand physical phenomena such as thermal conductivity, superconductivity, and ferroelectricity among others. However, detailed experimental phonon spectra are available only for a limited number of materials, whic...
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| Vydáno v: | Sci Data |
|---|---|
| Hlavní autoři: | , , , , , , , , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
Nature Publishing Group
2018
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5928854/ https://ncbi.nlm.nih.gov/pubmed/29714723 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/sdata.2018.65 |
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