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DFT-based study of the structural, optoelectronic, mechanical and magnetic properties of Ti(3)AC(2) (A = P, As, Cd) for coating applications

The first-principles approach has been used while employing the Perdew–Burke–Ernzerhof exchange-correlation functional of generalized gradient approximation (PBE-GGA) along with the Hubbard parameter to study the structural, optoelectronic, mechanical and magnetic properties of titanium-based MAX ma...

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Detalles Bibliográficos
Autores principales:	Khalil, R. M. Arif, Hussain, Muhammad Iqbal, Luqman, Nadia, Hussain, Fayyaz, Rana, Anwar Manzoor, Akhtar, Muhammad Saeed, Mehmood, Rana Farhat
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8981168/ https://www.ncbi.nlm.nih.gov/pubmed/35425429 http://dx.doi.org/10.1039/d1ra07856a

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