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First-principle computation of some physical properties of half-Heusler compounds for possible thermoelectric applications

Using the density functional theory (DFT) method, we investigate the properties of LaXSi (X = Pt, Pd) half-Heusler compounds. To ensure the stability of both compounds, we employed two criteria: the Birch–Murnaghan equation of state and the negative formation energy. The evaluation of elastic consta...

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Detalles Bibliográficos
Autores principales:	Husain, Mudasser, Albalawi, Hind, Al Huwayz, Maryam, Khan, Rajwali, Rahman, Nasir
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/PMC10405639/ https://www.ncbi.nlm.nih.gov/pubmed/37555085 http://dx.doi.org/10.1039/d3ra04192a

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