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

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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Bibliographic Details
Main Authors: Ivana Miháliková, Martin Friák, Yvonna Jirásková, David Holec, Nikola Koutná, Mojmír Šob
Format: Article
Language:English
Published: MDPI AG 2018-12-01
Series:Nanomaterials
Subjects:
Fe<sub>3</sub>Al
Fe-Al
magnetism
interfaces
ab initio
stability
disorder
Online Access:https://www.mdpi.com/2079-4991/8/12/1059

Internet

https://www.mdpi.com/2079-4991/8/12/1059

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