Tuning Electronic Structures and Optical Properties in CdSe/CdS Dot-in-Rod Colloidal Nanostructures: Atomistic Tight-Binding Theory

2021 ◽  
Author(s):  
Worasak Sukkabot
Keyword(s):  
Optical Properties ◽  
Electronic Structures ◽  
Tight Binding ◽  
Binding Theory

Tight-binding theory of the electronic structures for rhombohedral semimetals

1993 ◽  
Vol 48 (23) ◽  
pp. 17271-17279 ◽  
Author(s):  
J. H. Xu ◽  
E. G. Wang ◽  
C. S. Ting ◽  
W. P. Su
Keyword(s):  
Electronic Structures ◽  
Tight Binding ◽  
Binding Theory

Effect of Cis-Backbone on Optical Properties of Polyphenylacetylene

2010 ◽  
Vol 428-429 ◽  
pp. 483-486
Author(s):  
Bao Gai Zhai ◽  
Yuan Ming Huang
Keyword(s):  
Optical Properties ◽  
Optical Absorption ◽  
Intermolecular Interactions ◽  
Density Of States ◽  
Tight Binding ◽  
Binding Theory ◽  
Concentrated Solutions ◽  
Fluorescence Studies ◽  
Excited Complex ◽  
Blue Photoluminescence

By controlling the temperature of chemical reaction, we synthesized four polyphenylacetylene samples, in which the percentages of cis configurations were determined to be 65, 75, 85 and 100%, respectively. Ultraviolet-visible and fluorescence studies show that the cis-configured backbones have posed significant effects on the optical absorption and fluorescence of the polyphenylacetylenes. Upon the 325-nm excitation, the dilute solutions of these cis-polyphenylacetylenes give off weak fluorescence with their peak located at about 390 nm, but the concentrated solutions of the polymer can give off strong orange-red fluorescence with their peak located at about 600 nm. With Hückel tight binding theory, both the E-k dispersion relations and the density of states were calculated for cis-polyphenylacetylene. Our results suggest that the blue photoluminescence of polyacetylenes origins from the backbone enhanced -conjugation of the phenyl chromophors in the polymer, and that intermolecular interactions can occur in the excited complex of the polymer.

A Tight-Binding Theory of the Electronic Structures for Rhombohedral Semimetals and Sb/GaSb, Sb/AlSb Superlattices

1993 ◽  
Vol 325 ◽  
Author(s):  
J.H. Xu ◽  
E.G. Wang ◽  
C.S. Ting ◽  
W.P. Su
Keyword(s):  
Electronic Structures ◽  
Tight Binding ◽  
Interface State ◽  
Orbit Interaction ◽  
Spin Orbit ◽  
Tight Binding Model ◽  
Binding Theory ◽  
Binding Parameters ◽  
Binding Model ◽  
Group V

AbstractThe band structures of three group-V semimetals As, Sb, and Bi with rhombohedral A7 symmetry are studied using a second-neighbor tight-binding model including spin-orbit interaction with an sp3s* basis. Then the bulk tight-binding parameters are used to investigate the electronic properties of semimetal-semiconductor superlattices made of alternating (111) layers of Sb and GaSb or AlSb. It is found that the band gap can be adjustable depending primarily on the thickness of the Sb layers. An interface state is observed in the region of the gap.

A synergistic combination of local tight binding theory and second harmonic generation elucidating surface properties of ZnO nanoparticles

2017 ◽  
Vol 19 (44) ◽  
pp. 29991-29997 ◽  
Author(s):  
C. B. Nelson ◽  
T. Zubkov ◽  
J. D. Adair ◽  
M. Subir
Keyword(s):  
Optical Properties ◽  
Second Harmonic Generation ◽  
Surface Properties ◽  
Harmonic Generation ◽  
Zno Nanoparticles ◽  
Calculation Method ◽  
Second Harmonic ◽  
Tight Binding ◽  
Second Order ◽  
Binding Theory

A combined SHG and tight-binding calculation method reveals surface second-order optical properties of ZnO nanoparticles.

Surface States in Passivated, Unpassivated and Core/Shell Nanocrystals: Electronic Structure and Optical Properties

2003 ◽  
Vol 789 ◽  
Author(s):  
Garnett W. Bryant ◽  
W. Jaskolski
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Semiconductor Nanocrystals ◽  
Tight Binding ◽  
Surface States ◽  
Surface Effects ◽  
Atomic Scale ◽  
Core Shell ◽  
Binding Theory ◽  
Theoretical Understanding

ABSTRACTSurface effects significantly influence the functionality of semiconductor nanocrystals. A theoretical understanding of these surface effects requires models capable of describing surface details at an atomic scale, passivation with molecular ligands, and few-monolayer capping shells. We present an atomistic tight-binding theory of the electronic structure and optical properties of passivated, unpassivated and core/shell nanocrystals to study these surface effects.

Sign in / Sign up

Export Citation Format

Share Document