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Role of the M point phonons for the dynamical stability of B2 compounds
Although many binary compounds have the B2 (CsCl-type) structure in the thermodynamic phase diagram, an origin of the dynamical stability is not understood well. Here, we focus on 416 compounds in the B2 structure extracted from the Materials Project, and study the dynamical stability of those compo...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9068927/ https://www.ncbi.nlm.nih.gov/pubmed/35508483 http://dx.doi.org/10.1038/s41598-022-10658-2 |