Please use this identifier to cite or link to this item:
|Title:||A Dirac-semimetal two-dimensional BeN4: Thickness-dependent electronic and optical properties||Authors:||Bafekry, A.
Fadlallah, M. M.
Jappor, H. R.
|Issue Date:||2021||Publisher:||Aip Publishing||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
|Appears in Collections:||Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü / Department of Material Science & Nanotechnology Engineering|
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
Show full item record
checked on Jul 13, 2022
WEB OF SCIENCETM
checked on Jul 14, 2022
checked on Aug 15, 2022
Items in GCRIS Repository are protected by copyright, with all rights reserved, unless otherwise indicated.