Electronic properties of several two dimensional halides from ab initio calculations

Mohamed Barhoumi, Ali Abboud, Lamjed Debbichi, Moncef Said, Torbjörn Björkman, Dario Rocca, Sébastien Lebègue

Forskningsoutput: TidskriftsbidragArtikelVetenskapligPeer review

18 Citeringar (Scopus)
17 Nedladdningar (Pure)

Sammanfattning

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 external electric field some of these systems exhibit a semiconductor-to-metal transition.

OriginalspråkOdefinierat/okänt
Sidor (från-till)823–832
TidskriftBeilstein Journal of Nanotechnology
Volym10
DOI
StatusPublicerad - 2019
MoE-publikationstypA1 Tidskriftsartikel-refererad

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