scholarly journals DFT/TDDFT study of electronic and optical properties of Surface-passivated Silicon nanocrystals, Sin (n = 20, 24, 26 and 28)

2015 ◽  
Vol 5 (2) ◽  
pp. 195-203 ◽  
Author(s):  
S. Chopra ◽  
B. Rai
Keyword(s):  
Optical Properties ◽  
Silicon Nanocrystals ◽  
Electronic And Optical Properties ◽  
Passivated Silicon

Doping in silicon nanocrystals: An ab initio study of the structural, electronic and optical properties

2006 ◽  
Vol 121 (2) ◽  
pp. 335-339 ◽  
Author(s):  
Federico Iori ◽  
Elena Degoli ◽  
Eleonora Luppi ◽  
Rita Magri ◽  
Ivan Marri ◽  
...  
Keyword(s):  
Optical Properties ◽  
Ab Initio ◽  
Silicon Nanocrystals ◽  
Ab Initio Study ◽  
Electronic And Optical Properties

Electronic and Optical Properties of Silicon Nanocrystals: Structural Effects

2003 ◽  
Vol 770 ◽  
Author(s):  
E. Degoli ◽  
S. Ossicini ◽  
M. Luppi ◽  
E. Luppi ◽  
R. Magri ◽  
...  
Keyword(s):  
Optical Properties ◽  
Excited State ◽  
Silicon Nanocrystals ◽  
Structural Model ◽  
Stokes Shift ◽  
Optical Gain ◽  
Structural Effects ◽  
Electronic And Optical Properties ◽  
Cluster Dimension ◽  
Pseudopotential Calculations

AbstractThe aim of this work is to investigate the structural, electronic and optical properties of hydrogenated Si nanoclusters (H-Si-nc) in their ground and excited state configurations. Structural relaxations have been fully taken into account in all cases through total energy pseudopotential calculations. Recent results about ab-initio calculations of Stokes shift as a function of the cluster dimension and of optical gain will be presented here. A structural model that can be linked to the four level scheme recently invoked to explain the experimental outcomes relative to the observed optical gain in Si-nc embedded in a SiO2 matrix will be suggested too.

ELECTRONIC AND OPTICAL PROPERTIES OF QUASIPERIODIC FIBONACCI SUPERLATTICES

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

Effect of electric field redistribution on the electronic and optical properties of nanostructures

1997 ◽  
Vol 167 (5) ◽  
pp. 558 ◽  
Author(s):  
Nikolai A. Gippius ◽  
V.D. Kulakovskii ◽  
Sergei G. Tikhodeev
Keyword(s):  
Optical Properties ◽  
Electric Field ◽  
Electronic And Optical Properties

First principles calculation of structural, electronic and optical properties of (001) and (110) growth axis (InN)/(GaN)n superlattices

2021 ◽  
Vol 67 (1 Jan-Feb) ◽  
pp. 7
Author(s):  
B. Bachir Bouiadjra ◽  
N. Mehnane ◽  
N. Oukli
Keyword(s):  
Optical Properties ◽  
Density Functional ◽  
Electronic Band Structure ◽  
Scale Up ◽  
Energy Scale ◽  
First Principles Calculation ◽  
Full Potential ◽  
Electronic Band ◽  
Electronic And Optical Properties ◽  
Growth Axis

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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