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Total energy of sigma-phase Fe–Cr–X (X=Co, Ni) alloys: Calculated and modeled data
The article contains computational data of electronic structure and crystal stability of two sigma-phases, namely Fe–Cr–Co and Fe–Cr–Ni, using the Korringa–Kohn–Rostoker method (KKR) for electronic band structure calculations. Total energy values, E(T), calculated for the number of ordered unit cell...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Elsevier
2016
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5198871/ https://www.ncbi.nlm.nih.gov/pubmed/28054007 http://dx.doi.org/10.1016/j.dib.2016.11.064 |