Journal
BEILSTEIN JOURNAL OF NANOTECHNOLOGY
Volume 10, Issue -, Pages 823-832Publisher
BEILSTEIN-INSTITUT
DOI: 10.3762/bjnano.10.82
Keywords
density functional theory; electronic properties; halide monolayers
Funding
- GENCI-CCRT/CINES [x2018-085106]
- Agence Nationale de la Recherche [ANR-15-CE29-0003-01]
- French PIA project Lorraine Universite d'Excellence.
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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.
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