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Electronic, optical and thermoelectric properties of Fe(2)ZrP compound determined via first-principles calculations

In this study, based on the density functional theory and semi-classical Boltzmann transport theory, we investigated the structural, thermoelectric, optical and phononic properties of the Fe(2)ZrP compound. The results of the electronic band structure analysis indicate that Fe(2)ZrP is an indirect b...

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Detalles Bibliográficos
Autores principales:	Pakizeh, Esmaeil, Jalilian, Jaafar, Mohammadi, Mahnaz
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/PMC9070009/ https://www.ncbi.nlm.nih.gov/pubmed/35530110 http://dx.doi.org/10.1039/c9ra04736k

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