Investigation of the structural competing and atomic ordering in Heusler compounds Fe(2)NiSi and Ni(2)FeSi under strain condition

The structural competing and atomic ordering of the full Heusler compounds Fe(2)NiSi and Ni(2)FeSi under uniform and tetragonal strains have been systematically studied by the first-principles calculation. Both Fe(2)NiSi and Ni(2)FeSi have the XA structure in cubic phase and they show metallic band...

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Bibliographic Details
Published in:R Soc Open Sci
Main Authors: Yang, Tie, Hao, Liyu, Khenata, Rabah, Wang, Xiaotian
Format: Artigo
Language:Inglês
Published: The Royal Society 2019
Subjects:
Chemistry
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC6774975/
https://ncbi.nlm.nih.gov/pubmed/31598317
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rsos.191007
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