Insight into the exemplary structural, elastic, electronic and optical nature of GaBeCl(3) and InBeCl(3): a DFT study

In the scheme of density functional theory (DFT), Structural, elastic, electronic, and optical properties calculations of GaBeCl(3) and InBeCl(3) are carried out using Tran–Blaha modified Becke–Johnson exchange potential approximation (TB-mBJ) installed in Wein2k software. Structurally the compounds...

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Detalles Bibliográficos
Autores principales: Shah, Saima Ahmad, Husain, Mudasser, Rahman, Nasir, Sohail, Mohammad, Khan, Rajwali, Khan, Abid Ali, Ullah, Asad, Abdelmohsen, Shaimaa A. M., Abdelbacki, Ashraf M. M., El-Sabrout, Ahmed M., Elansary, Hosam O., Khan, Aurangzeb
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/PMC8982350/
https://www.ncbi.nlm.nih.gov/pubmed/35424713
http://dx.doi.org/10.1039/d2ra00943a

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8982350/
https://www.ncbi.nlm.nih.gov/pubmed/35424713
http://dx.doi.org/10.1039/d2ra00943a

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