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Electronic structures of greigite (Fe(3)S(4)): A hybrid functional study and prediction for a Verwey transition

Greigite (Fe(3)S(4)) is a ferrimagnetic mineral with vital functions in both the bio-geochemical cycle and novel technological applications. However, the ground state electronic structure of this material has not been fully characterized by either experiment or theory. In the present study, ab initi...

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Detalhes bibliográficos
Publicado no:Sci Rep
Main Authors: Wu, Min, Tse, John S, Pan, Yuanming
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4751502/
https://ncbi.nlm.nih.gov/pubmed/26869147
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep21637
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