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...

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Detalles Bibliográficos
Autores principales: Choi, Youngwon, Dong, Zhihua, Li, Wei, Lizárraga, Raquel, Kwon, Se-Kyun, Vitos, Levente
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8879897/
https://www.ncbi.nlm.nih.gov/pubmed/35207819
http://dx.doi.org/10.3390/ma15041276

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