Dissemin is shutting down on January 1st, 2025

Published in

World Scientific Publishing, International Journal of Modern Physics B, 08(31), p. 1750044

DOI: 10.1142/s0217979217500448

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Electronic and optical properties of pentagonal-B2C monolayer: A first-principles calculation

Journal article published in 2017 by Mosayeb Naseri, Jafar Jalilian, A. H. Reshak ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

The electronic and optical properties of pentagonal B2C (penta-B2C) monolayer are investigated by means of the first-principles calculations in the framework of the density functional theory. The cohesive energy consideration confirms the good stability of the B2C nanostructure in this phase. The electronic band structure reveals that the valence band maximum (VBM) is located at [Formula: see text]-point of the first Brillouin zone (BZ) whereas the conduction band minimum (CBM) is situated at the center of the BZ, resulting in an indirect energy bandgap of about 1.5 eV. Furthermore, a calculated low absorption and low reflection of the material in low energy ranges denote the transparency of the B2C monolayer in the investigated range for normal light incidence. The obtained results may find application in fabrication of future opto-electronic devices.