Band Gaps, Band‐Offsets, Disorder, Stability Region, and Point Defects in II‐IV‐N 2 Semiconductors

2019 ◽  
Vol 216 (15) ◽  
pp. 1800875 ◽  
Author(s):  
Sai Lyu ◽  
Dmitry Skachkov ◽  
Kathleen Kash ◽  
Eric W. Blanton ◽  
Walter R. L. Lambrecht
Keyword(s):  
Point Defects ◽  
Stability Region ◽  
Band Gaps ◽  
Band Offsets

A thermoelastic model for strain effects on bandgaps and band offsets in heterostructure core/shell quantum dots

2019 ◽  
Vol 86 (3) ◽  
pp. 30401 ◽  
Author(s):  
Hilmi Ünlü
Keyword(s):  
Quantum Dots ◽  
Elastic Moduli ◽  
Band Gaps ◽  
Core Shell ◽  
Type Ii ◽  
Core Diameter ◽  
Band Offsets ◽  
Thermoelastic Model ◽  
Proposed Model ◽  
Core Band

A thermoelastic model is proposed to determine elastic strain effects on electronic properties of spherical Type I and Type II heterostructure core/shell quantum dots (QDs) as a function of dimensions of constituent semiconductors at any temperature. Proposed model takes into account the difference between lattice constants, linear expansion coefficients and anisotropy of elastic moduli (Young's modulus and Poisson's ratio) of constituent semiconductors, respectively. In analogous to lattice mismatch, we introduce so called the elastic anisotropy mismatch in heterostructures. Compressive strain acting on core (shell) side of heterointerfaces in CdSe/CdS, CdSe/ZnS, and ZnSe/ZnS QDs increases (decreases) as shell diameter is increased, which causes increase (decrease) in core bandgap as sell (core) diameter is increased in these nanostructures. Furthermore, there is a parabolic increase in conduction band offsets and core bandgaps in CdSe/CdS, CdSe/ZnS, and ZnSe/ZnS QDs and decrease in conduction band offset and core bandgap of ZnSe/CdS QD as core (shell) diameter increases for fixed shell (core) diameter. Comparison shows that using isotropic elastic moduli in determining band offsets and core band gaps gives better agreement with experiment than anisotropic elastic moduli for core bandgaps of CdSe/CdS, CdSe/ZnS, ZnSe/ZnS, and ZnSe/CdS core/shell QDs. Furthermore, we also show that the strain-modified two band effective mass approximation can be used to determine band offsets by using measured core band gaps in core/shell heterostructure QDs with Type II interface band alignment. Excellent agreement between predicted and measured core bandgaps in CdSe and ZnSe based core/shell QDs suggests that proposed model can be a good design tool for process simulation of core/shell heterostructure QDs.

Electronic structures of Zn1-xGaxO1-xNx and band offsets of ZnO/Zn1-xGaxO1-xNx heterojunction across the entire concentration range from first principles

2021 ◽  
Author(s):  
Tianjiao Li ◽  
Xiaojie Liu ◽  
Yin Wang ◽  
Ronggen Cao ◽  
Haitao Yin
Keyword(s):  
First Principles ◽  
Electronic Structures ◽  
Band Gaps ◽  
Entire Concentration Range ◽  
Band Offsets ◽  
Optoelectronics Devices

Band offsets at the heterointerfaces play a key role in defining the functionality of optoelectronics devices. In this work, the band gaps of wurtzite Zn1-xGaxO1-xNx alloys and the band offsets...

Band gaps and band offsets in strained GaAs1−ySby on InP grown by metalorganic chemical vapor deposition

1999 ◽  
Vol 74 (3) ◽  
pp. 410-412 ◽  
Author(s):  
M. Peter ◽  
N. Herres ◽  
F. Fuchs ◽  
K. Winkler ◽  
K.-H. Bachem ◽  
...  
Keyword(s):  
Chemical Vapor Deposition ◽  
Vapor Deposition ◽  
Metalorganic Chemical Vapor Deposition ◽  
Chemical Vapor ◽  
Band Gaps ◽  
Band Offsets ◽  
Metalorganic Chemical

CdSe/CdTe interface band gaps and band offsets calculated using spin–orbit and self-energy corrections

2012 ◽  
Vol 177 (16) ◽  
pp. 1460-1464 ◽  
Author(s):  
M. Ribeiro ◽  
L.G. Ferreira ◽  
L.R.C. Fonseca ◽  
R. Ramprasad
Keyword(s):  
Band Gaps ◽  
Spin Orbit ◽  
Band Offsets ◽  
Self Energy

Tight binding modeling of band gaps and band offsets in heterostructures

2005 ◽  
Vol 33 (1-3) ◽  
pp. 269-275 ◽  
Author(s):  
H. Hakan Gürel ◽  
Özden Akıncı ◽  
Hilmi Ünlü
Keyword(s):  
Tight Binding ◽  
Band Gaps ◽  
Band Offsets

Point defects in lines in single crystalline phosphorene: directional migration and tunable band gaps

Nanoscale ◽  
2016 ◽  
Vol 8 (41) ◽  
pp. 17801-17808 ◽  
Author(s):  
Xiuling Li ◽  
Liang Ma ◽  
Dayong Wang ◽  
Xiao Cheng Zeng ◽  
Xiaojun Wu ◽  
...  
Keyword(s):  
Point Defects ◽  
Band Gaps ◽  
Directional Migration ◽  
Single Crystalline

Point Defects and Cation Diffusion in Cobaltous Oxide

1994 ◽  
Vol 369 ◽  
Author(s):  
Sanjeev Aggarwal ◽  
RÜdiger Dieckmann
Keyword(s):  
Point Defects ◽  
Atmospheric Pressure ◽  
Defect Structure ◽  
Stability Region ◽  
Prior Belief ◽  
Deviation From Stoichiometry ◽  
Point Defect Structure ◽  
O Phase ◽  
Respective Concentration

AbstractThe deviation from stoichiometry, δ, in Co1-δ O was measured in-situ as a function of oxygen activity at temperatures between 1000 and 1400 ºC, using ahigh resolution microbalance. The experiments were conducted over the entire Co1-δO phase stability region at atmospheric pressure. The experimental results were analyzed with regard to the point defect structure and also in comparison with mass and charge transport data. Contrary to prior belief, it was found that the average mobility of the cationic defects and holes varied with their respective concentration.

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