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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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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 |