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Exploration of the structural, vibrational, electronic, mechanical and thermal properties of Ru(4)Al(3)B(2) and Ru(9)Al(3)B(8): a DFT study

The structural, dynamical, electro-optical, mechanical, and thermal characteristics of the newly synthesized intermetallic compounds Ru(4)Al(3)B(2) and Ru(9)Al(3)B(8) have been studied under ambient and elevated pressure through density functional theory (DFT). The obtained lattice parameters of the...

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Detalles Bibliográficos
Autores principales: Chakraborty, Arpon, Liton, M. N. H., Sarker, M. S. I., Rahman, M. M., Khan, M. K. R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10544048/
https://www.ncbi.nlm.nih.gov/pubmed/37790092
http://dx.doi.org/10.1039/d3ra05334b