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Impact of Anionic Substitution in Yb(14)MgSb(11–x)As(x) Compounds on the Electronic and Thermoelectric Properties

[Image: see text] The effects of anionic site substitution on the electronic transport properties of Yb(14)MgSb(11–x)As(x) compounds were investigated using density functional theory (DFT) with on-site Coulomb interaction correction (PBE+U). By replacing the Sb atoms at the four symmetry sites in Yb...

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Detalles Bibliográficos
Autores principales: Vo, Trinh, von Allmen, Paul, Cheikh, Dean, Bux, Sabah, Fleurial, Jean-Pierre
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9639166/
https://www.ncbi.nlm.nih.gov/pubmed/36366759
http://dx.doi.org/10.1021/acs.jpcc.2c05597