Effects of hydrogen/halogen –edge termination on structural, electronic, and optical properties of planar silicene nanoribbons SiNRs

Author(s):  
I. Djabri ◽  
M.T. Kadri ◽  
H. Belkhir ◽  
M. Bououdina
2020 ◽  
Vol 98 (3) ◽  
pp. 260-265
Author(s):  
Dao-Bang Lu ◽  
Yu-Ling Song ◽  
Xiao-yu Huang

Using first-principles calculations, we investigate the electronic and optical properties of zigzag silicene nanoribbons substituted with double carbon chains. The results show that the chains are pulled nearly straight and produce a rather obvious transverse contraction in the width direction of the ribbon. The double carbon chains introduce defect states that appear as two degenerate bands across the Fermi level. These nanoribbons are always metallic regardless of the position of the carbon chains or the ribbon width. Under the same bandwidth, the imaginary parts of the dielectric functions in the Ex and Ey directions reveal red- and blue-shifts, respectively, with increasing distance between the two C chains. The imaginary parts of the dielectric functions in the Ex and Ey directions reveal blue- and redshifts, respectively, with increasing ribbon width. Three major peaks in the imaginary part of the dielectric function correspond to the intrinsic plasma frequencies originating from electron transitions of silicon and carbon. Such excellent electronic and optical properties may lead to some important applications of the nanoribbons in short-wavelength optoelectronic devices.


1987 ◽  
Vol 48 (C5) ◽  
pp. C5-529-C5-532 ◽  
Author(s):  
F. LARUELLE ◽  
V. THIERRY-MIEG ◽  
M. C. JONCOUR ◽  
B. ETIENNE

2021 ◽  
Vol 67 (1 Jan-Feb) ◽  
pp. 7
Author(s):  
B. Bachir Bouiadjra ◽  
N. Mehnane ◽  
N. Oukli

Based on the full potential linear muffin-tin orbitals (FPLMTO) calculation within density functional theory, we systematically investigate the electronic and optical properties of (100) and (110)-oriented (InN)/(GaN)n zinc-blende superlattice with one InN monolayer and with different numbers of GaN monolayers. Specifically, the electronic band structure calculations and their related features, like the absorption coefficient and refractive index of these systems are computed over a wide photon energy scale up to 20 eV. The effect of periodicity layer numbers n on the band gaps and the optical activity of (InN)/(GaN)n SLs in the both  growth axis (001) and (110) are examined and compared. Because of prospective optical aspects of (InN)/(GaN)n such as light-emitting applications, this theoretical study can help the experimental measurements.


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