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Impact of Nano-Scale Distribution of Atoms on Electronic and Magnetic Properties of Phases in Fe-Al Nanocomposites: An Ab Initio Study

Quantum-mechanical calculations are applied to examine magnetic and electronic properties of phases appearing in binary Fe-Al-based nanocomposites. The calculations are carried out using the Vienna Ab-initio Simulation Package which implements density functional theory and generalized gradient appro...

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Detalles Bibliográficos
Autores principales:	Miháliková, Ivana, Friák, Martin, Jirásková, Yvonna, Holec, David, Koutná, Nikola, Šob, Mojmír
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6316398/ https://www.ncbi.nlm.nih.gov/pubmed/30558362 http://dx.doi.org/10.3390/nano8121059

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