Electronic, Optical, and Elastic Properties of CaFI Monolayer and Acoustic Phonon Dispersion at Hypersonic Frequencies Using Density Functional Theory and beyond with Random Phase Approximation and Bethe–Salpeter Equation

[Image: see text] The extraordinary properties of graphene have motivated us to investigate a novel 2D compound. In this framework, we study the structural, vibrational, electronic, optical, and elastic properties of a new two-dimensional CaFI monolayer, using DFT, GW, RPA, and BSE methodologies. Th...

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Detalles Bibliográficos
Autores principales: Barhoumi, Mohamed, Sfina, Noureddine
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9096925/
https://www.ncbi.nlm.nih.gov/pubmed/35571837
http://dx.doi.org/10.1021/acsomega.1c06437

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9096925/
https://www.ncbi.nlm.nih.gov/pubmed/35571837
http://dx.doi.org/10.1021/acsomega.1c06437

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