Improved tight-binding parameters of III-V semiconductor alloys and their application to type-II superlattices

2021 ◽  
Author(s):  
Akitaka Sawamura ◽  
Takashi Kato ◽  
Satofumi SOUMA
Keyword(s):  
Absorption Coefficient ◽  
Energy Levels ◽  
Tight Binding ◽  
Band Gaps ◽  
Type Ii ◽  
Binding Parameters ◽  
Semiconductor Alloys ◽  
Effective Masses ◽  
Type Ii Superlattices ◽  
Ternary Semiconductor

Abstract A simple tight-binding method for ternary semiconductor alloys is generalized to calculate the properties of the semiconductor alloys accurately. Specifically independently adjustable parameters, which represent compositional disorder, are incorporated in all the ternary tight-binding parameters. Energy levels and effective masses agree well with the reference values only by the proposed method. We have applied the method to calculate the band gaps and a spectrum of the absorption coefficient of (InAs)/(GaInSb) type-II superlattices. The calculated band-gaps agree well with the experimental ones and we could well reproduce the shape of the absorption coefficient spectrum calculated by an empirical pseudopotential scheme.

Atomistic effect of laterally and vertically growth shell on physical behaviours of CdSe/CdTe type-II core/crown and core/shell nanoplatelets: tight-binding theory

2021 ◽  
Vol 96 (12) ◽  
pp. 125867
Author(s):  
Worasak Sukkabot
Keyword(s):  
Charge Separation ◽  
Tight Binding ◽  
Band Gaps ◽  
Core Shell ◽  
Type Ii ◽  
Binding Theory ◽  
Theoretical Understanding ◽  
Spatial Charge ◽  
The Impact ◽  
Cdte Core

Abstract Utilizing the atomistic tight-binding theory, the impact of the lateral and vertical potential confinement by the coated shell on the CdSe/CdTe core/crown and core/shell nanoplatelets (NPLs) is attained. The spatial charge separation and encapsulated shell have a noteworthy impact on the electronic structures and optical properties because of the type-II band profile. The reduced band gaps with the growing laterally and vertically passivated shell thicknesses are due to the quantum confinement phenomena. The optical band gaps adjusted across the visible light are achieved by the shell thickness change. The excitonic binding energies of CdSe/CdTe core/shell NPLs are larger than those of CdSe/CdTe core/crown NPLs. Thanks to the spatial charge separation, a shortening of the oscillation strengths is concomitant with an increase of the radiative lifetimes. Overall, this scientific research underlines the importance of the theoretical understanding and practical control by lateral and vertical confinement of heterostructure NPLs.

HOLE STATES LOCALIZED AT TYPE II HETEROINTERFACE

2003 ◽  
Vol 02 (06) ◽  
pp. 411-417 ◽  
Author(s):  
M. O. NESTOKLON
Keyword(s):  
Tight Binding ◽  
Type Ii ◽  
Spin Orbit ◽  
Tight Binding Model ◽  
Binding Parameters ◽  
Binding Model ◽  
Orbit Splitting ◽  
Semiconductor Interface ◽  
Spin Orbit Splitting ◽  
Tight Binding Method

A theory of Tamm-like hole states at type II heterointerface has been developed for zink-blende semiconductors. The consideration has been carried out in the microscopic tight-binding model with allowance made for the spin-orbit splitting of the valence band. It has been demonstrated that the tight-binding method describes Tamm-like hole states at type II semiconductor interface. Localization energy dependence on interface tight-binding parameters has been analyzed.

scholarly journals Низкоразмерные структуры карбида кремния: аналитические оценки характеристик электронного спектра

2020 ◽  
Vol 54 (5) ◽  
pp. 446
Author(s):  
С.Ю. Давыдов
Keyword(s):  
Silicon Carbide ◽  
Electronic Structure ◽  
Function Method ◽  
Tight Binding ◽  
Band Gaps ◽  
Tight Binding Approximation ◽  
One Dimensional ◽  
Dielectric Substrates ◽  
Effective Masses ◽  
Analytical Expressions

Abstract Using the Green’s function method within the tight-binding approximation, the electronic structure of an infinite silicon-carbide sheet, and nanoribbons and one-dimensional chains cut from it, is considered. Analytical expressions for band gaps, electron effective masses and characteristic velocities are derived. The effect of metal and dielectric substrates on the band characteristics is discussed.

Transferable Tight-Binding Approach Of Si-H Interactions

1997 ◽  
Vol 491 ◽  
Author(s):  
Eunja Kim ◽  
Seung Mi Lee ◽  
Young Hee Lee
Keyword(s):  
Molecular Dynamics ◽  
Potential Energy ◽  
Molecular Dynamics Simulations ◽  
Energy Levels ◽  
Tight Binding ◽  
Electronic Energy ◽  
Binding Parameters ◽  
Exponential Factor ◽  
Dynamics Simulations ◽  
Electronic Energy Levels

ABSTRACTWe construct transferable tight-binding parameters of silicon-hydrogen interactions, reproducing the electronic energy levels and vibrational frequencies of the silane(SiH4) molecule accurately. The potential function was rescaled with the exponential factor in order to ensure that the potential energy is smooth at an appropriate cut-off distance, which is very important in molecular-dynamics simulations. The parameters have been applied to other molecules and various surfaces such as hydrogenated Si(100) surfaces, for example, monohydride, dihydride, and (3×1) phase.

Electroabsorption in the type II superlattices

1992 ◽  
Vol 60 (16) ◽  
pp. 1969-1971 ◽  
Author(s):  
Shaozhong Li ◽  
Jacob B. Khurgin
Keyword(s):  
Type Ii ◽  
Type Ii Superlattices
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