Theoretical exploration of inherent electronic, structural, mechanical, thermoelectric, and thermophysical response of KRu(4)Z(12) (Z = As(12), Sb(12)) filled skutterudite materials

Using the density functional theory methodology, we have thoroughly examined KRu(4)As(12) and KRu(4)Sb(12) skutterudites, including their structural, electronic, mechanical, transport, and thermodynamic properties. First and foremost, using the Birch–Murnaghan equation of state, the structural stabi...

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Detalles Bibliográficos
Autores principales: Nayak, Poorva, Srivastava, Pankakaj, Gupta, Dinesh C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10508261/
https://www.ncbi.nlm.nih.gov/pubmed/37731830
http://dx.doi.org/10.1039/d3ra05546a

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10508261/
https://www.ncbi.nlm.nih.gov/pubmed/37731830
http://dx.doi.org/10.1039/d3ra05546a

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