Strain-energy distribution and electronic structure of InAs pyramidal quantum dots with uncovered surfaces: Tight-binding analysis

1998 ◽  
Vol 57 (20) ◽  
pp. 13016-13019 ◽  
Author(s):  
T. Saito ◽  
J. N. Schulman ◽  
Y. Arakawa
Keyword(s):  
Quantum Dots ◽  
Electronic Structure ◽  
Energy Distribution ◽  
Strain Energy ◽  
Tight Binding ◽  
Binding Analysis

scholarly journals Tight-binding analysis of the electronic structure of dilute bismide alloys of GaP and GaAs

2011 ◽  
Vol 84 (24) ◽  
Author(s):  
Muhammad Usman ◽  
Christopher A. Broderick ◽  
Andrew Lindsay ◽  
Eoin P. O’Reilly
Keyword(s):  
Electronic Structure ◽  
Tight Binding ◽  
Binding Analysis

Simulation of InAsSb/InGaAs Quantum Dots for Optical Device Applications

2004 ◽  
Vol 851 ◽  
Author(s):  
Paul von Allmen ◽  
Seungwon Lee ◽  
Fabiano Oyafuso
Keyword(s):  
Quantum Dots ◽  
Electronic Structure ◽  
Band Gap ◽  
Atmospheric Chemistry ◽  
Energy Gap ◽  
Tight Binding ◽  
Atomic Interaction ◽  
Optical Detectors ◽  
Wide Range ◽  
Device Applications

ABSTRACTSelf-assembled InAsSb/InGaAs quantum dots are candidates for optical detectors and emitters in the 2–5 micron band with a wide range of applications for atmospheric chemistry studies. It is known that while the energy band gap of unstrained bulk InAs1−xSbx is smallest for x=0.62, the biaxial strain for bulk InAs1−xSbx grown on In0.53Ga0.47As shifts the energy gap to higher energies and the smallest band gap is reached for x=0.51. The aim of the present study is to examine how the electronic confinement in the quantum dots modifies these simple considerations. We have calculated the electronic structure of lens shaped InAs1−xSbx quantum dots with diameter 37 nm and height 4 nm embedded in a In0.53Ga0.47As matrix of thickness 7 nm and lattice matched to an InP buffer. The relaxed atomic positions were determined by minimizing the elastic energy obtained from a valence force field description of the inter-atomic interaction. The electronic structure was calculated with an empirical tight binding approach. For Sb concentrations larger than x=0.5, it is found that the InSb/ In0.53Ga0.47As heterostructure becomes type II leading to no electron confined in the dot. It is also found that the energy gap decreases with increasing Sb content in contradiction with previous experimental results. A possible explanation is a significant variation is quantum dot size with Sb content.

The solid-state electronic structure and the nature of the chemical bond of the ternary Zintl-phase Li8MgSi6. A tight-binding analysis

1985 ◽  
Vol 95 (1) ◽  
pp. 17-35 ◽  
Author(s):  
Rafael Ramirez ◽  
Reinhard Nesper ◽  
Hans-Georg von Schnering ◽  
Michael C. Böhm
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Chemical Bond ◽  
Tight Binding ◽  
Zintl Phase ◽  
Binding Analysis

Electronic Structure of InN/GaN Quantum Dots: Multimillion-Atom Tight-Binding Simulations

2010 ◽  
Vol 57 (1) ◽  
pp. 164-173 ◽  
Author(s):  
Shaikh Ahmed ◽  
Sharnali Islam ◽  
Shareef Mohammed
Keyword(s):  
Quantum Dots ◽  
Electronic Structure ◽  
Tight Binding

Communication: Photoinduced Carbon Dioxide Binding with Surface-Functionalized Silicon Quantum Dots

2018 ◽  
Author(s):  
Oscar A. Douglas-Gallardo ◽  
Cristián Gabriel Sánchez ◽  
Esteban Vöhringer-Martinez
Keyword(s):  
Carbon Dioxide ◽  
Quantum Dots ◽  
Atmospheric Carbon Dioxide ◽  
Density Functional ◽  
Tight Binding ◽  
Carbon Dioxide Concentration ◽  
Research Area ◽  
Silicon Quantum Dots ◽  
Dependent Model ◽  
Photoinduced Charge

<div> <div> <div> <p>Nowadays, the search of efficient methods able to reduce the high atmospheric carbon dioxide concentration has turned into a very dynamic research area. Several environmental problems have been closely associated with the high atmospheric level of this greenhouse gas. Here, a novel system based on the use of surface-functionalized silicon quantum dots (sf -SiQDs) is theoretically proposed as a versatile device to bind carbon dioxide. Within this approach, carbon dioxide trapping is modulated by a photoinduced charge redistribution between the capping molecule and the silicon quantum dots (SiQDs). Chemical and electronic properties of the proposed SiQDs have been studied with Density Functional Theory (DFT) and Density Functional Tight-Binding (DFTB) approach along with a Time-Dependent model based on the DFTB (TD-DFTB) framework. To the best of our knowledge, this is the first report that proposes and explores the potential application of a versatile and friendly device based on the use of sf -SiQDs for photochemically activated carbon dioxide fixation. </p> </div> </div> </div>

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