Electronic properties of several two dimensional halides from ab initio calculations

Using density functional theory, we study the electronic properties of several halide monolayers. We show that their electronic bandgaps, as obtained with the HSE hybrid functional, range between 3.0 and 7.5 eV and that their phonon spectra are dynamically stable. Additionally, we show that under an...

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Detalles Bibliográficos
Autores principales: Barhoumi, Mohamed, Abboud, Ali, Debbichi, Lamjed, Said, Moncef, Björkman, Torbjörn, Rocca, Dario, Lebègue, Sébastien
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Beilstein-Institut 2019
Materias:
Full Research Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6466728/
https://www.ncbi.nlm.nih.gov/pubmed/31019869
http://dx.doi.org/10.3762/bjnano.10.82

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6466728/
https://www.ncbi.nlm.nih.gov/pubmed/31019869
http://dx.doi.org/10.3762/bjnano.10.82

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