Elastic constants and sound velocities of Fe0.87Mn0.13 random alloy from first principles

In this study the elastic properties of a fcc Fe0.87Mn0.13 random alloy are studied by ab initio calculations. Ground state lattice parameters and elastic properties are calculated with Density Functional Theory using the Exact Muffin-Tin Orbital method and the Coherent Potential Approximation. Seve...

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Bibliographic Details
Main Author: Norell, Jesper
Format: Others
Language:English
Published: Linköpings universitet, Teoretisk Fysik 2012
Subjects:
DFT
Fe
Mn
Online Access:http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-104173