Perovskite-structure TlBO(3) (B = Cr, Mn) for thermomechanical and optoelectronic applications: an investigation via a DFT scheme

First-principles-based DFT calculations have been carried out to analyze the structural, mechanical, elastic anisotropic, Vickers hardness, electronic, optical, and thermodynamic properties of TlBO(3) (B = Cr, Mn) for the first time. We determined the lattice parameters, which are in good agreement...

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Detalles Bibliográficos
Autores principales: Hasan, Wakil, Hossain, Adeeb Mahamud, Rasheduzzaman, Md., Rahman, Md. Atikur, Hossain, Md. Mukter, Mohammad, K. Rashel, Chowdhury, Raihan, Hossain, Khandaker Monower, Hossen, M. Moazzam, Hasan, Md. Zahid
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/PMC9513758/
https://www.ncbi.nlm.nih.gov/pubmed/36276026
http://dx.doi.org/10.1039/d2ra04273h

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9513758/
https://www.ncbi.nlm.nih.gov/pubmed/36276026
http://dx.doi.org/10.1039/d2ra04273h

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