First principle calculations of the κ-Fe3AlC perovskite and iron-aluminium intermetallics

Intermetallics

Volumn 16, Issue 3, 2008, Pages 345-352

  Connetable D ^a   Maugis, P ^a,b  

^a CNRS   (France)

^b Arcelor Research   (France)

Author keywords

A. Iron aluminides, based on Fe3Al; B. Elastic properties; E. Ab initio calculations; E. Electronic structure, calculation

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; INTERMETALLICS; MAGNETIC PROPERTIES; VIBRATIONAL SPECTRA;

AB INITIO CALCULATIONS; ELASTIC PROPERTIES; FIRST PRINCIPLE CALCULATIONS; IRON ALUMINIDES;

PEROVSKITE;

EID: 39749122064     PISSN: 09669795     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.intermet.2007.09.011     Document Type: Article

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