Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/11589
Title: A Dirac-semimetal two-dimensional BeN4: Thickness-dependent electronic and optical properties
Authors: Bafekry, A.
Stampfl, C.
Faraji, M.
Yağmurcukardeş, Mehmet
Fadlallah, M. M.
Jappor, H. R.
Ghergherehchi, M.
Keywords: Monolayers
Nitrogen compounds
Beryllium compounds
Dynamical stability
Issue Date: 2021
Publisher: AIP Publishing LLC
Abstract: Motivated by the recent experimental realization of a two-dimensional (2D) BeN4 monolayer, in this study we investigate the structural, dynamical, electronic, and optical properties of a monolayer and few-layer BeN4 using first-principles calculations. The calculated phonon band dispersion reveals the dynamical stability of a free-standing BeN4 layer, while the cohesive energy indicates the energetic feasibility of the material. Electronic band dispersions show that monolayer BeN4 is a semi-metal whose conduction and valence bands touch each other at the Sigma point. Our results reveal that increasing the layer number from single to six-layers tunes the electronic nature of BeN4. While monolayer and bilayer structures display a semi-metallic behavior, structures thicker than that of three-layers exhibit a metallic nature. Moreover, the optical parameters calculated for monolayer and bilayer structures reveal that the bilayer can absorb visible light in the ultraviolet and visible regions better than the monolayer structure. Our study investigates the electronic properties of Dirac-semimetal BeN4 that can be an important candidate for applications in nanoelectronic and optoelectronic. Published under an exclusive license by AIP Publishing.
URI: https://doi.org/10.1063/5.0051878
https://hdl.handle.net/11147/11589
ISSN: 0003-6951
1077-3118
Appears in Collections:Photonics / Fotonik
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

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