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Electronic correlations determine the phase stability of iron up to the melting temperature
We present theoretical results on the high-temperature phase stability and phonon spectra of paramagnetic bcc iron which explicitly take into account many-body effects. Several peculiarities, including a pronounced softening of the [110] transverse (T(1)) mode and a dynamical instability of the bcc...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group
2014
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4083282/ https://www.ncbi.nlm.nih.gov/pubmed/24998330 http://dx.doi.org/10.1038/srep05585 |