Cargando…
Density Functional Theory Description of Paramagnetic Hexagonal Close-Packed Iron
The hexagonal close-packed (hcp) phase of iron is unstable under ambient conditions. The limited amount of existing experimental data for this system has been obtained by extrapolating the parameters of hcp Fe–Mn alloys to pure Fe. On the theory side, most density functional theory (DFT) studies on...
| Autores principales: | , , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2022
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8879897/ https://www.ncbi.nlm.nih.gov/pubmed/35207819 http://dx.doi.org/10.3390/ma15041276 |