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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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Detaylı Bibliyografya
Yayımlandı:Beilstein J Nanotechnol
Asıl Yazarlar: Barhoumi, Mohamed, Abboud, Ali, Debbichi, Lamjed, Said, Moncef, Björkman, Torbjörn, Rocca, Dario, Lebègue, Sébastien
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: Beilstein-Institut 2019
Konular:
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC6466728/
https://ncbi.nlm.nih.gov/pubmed/31019869
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3762/bjnano.10.82
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