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Influence of Ch substitution on structural, electronic, and thermoelectric properties of layered oxychalcogenides (La(0.5)Bi(0.5)O)CuCh (Ch = S, Se, Te): a new insight from first principles
We study the structural, electronic, and thermoelectric properties of p-type layered oxychalcogenides (La(0.5)Bi(0.5)O)CuCh (Ch = S, Se, Te) from first principles. Ch substitution from S to Te enhances the local-symmetry distortions (LSDs) in CuCh(4) and OLa(2)Bi(2) tetrahedra, where the LSD in OLa(...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9055621/ https://www.ncbi.nlm.nih.gov/pubmed/35516961 http://dx.doi.org/10.1039/d0ra05187j |