Investigation on the electronic structure, optical, elastic, mechanical, thermodynamic and thermoelectric properties of wide band gap semiconductor double perovskite Ba(2)InTaO(6)

In the present paper, double perovskite Ba(2)InTaO(6) was investigated in terms of its structural, electronic, optical, elastic, mechanical, thermodynamic and thermoelectric properties using density-functional theory (DFT). The generalized gradient approximation (GGA) in the scheme of Perdew, Burke...

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Detalles Bibliográficos
Autores principales: Dar, Sajad Ahmad, Sharma, Ramesh, Srivastava, Vipul, Sakalle, Umesh Kumar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2019
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9062195/
https://www.ncbi.nlm.nih.gov/pubmed/35520698
http://dx.doi.org/10.1039/c9ra00313d

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9062195/
https://www.ncbi.nlm.nih.gov/pubmed/35520698
http://dx.doi.org/10.1039/c9ra00313d

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