scholarly journals Optical and Electronic Properties of Semiconductor 2D Nanosystems: Self-consistent Tight-binding Calculations

VLSI Design ◽  
1998 ◽  
Vol 8 (1-4) ◽  
pp. 469-473
Author(s):  
Andrea Reale ◽  
Aldo Di Carlo ◽  
Sara Pescetelli ◽  
Marco Paciotti ◽  
Paolo Lugli
Keyword(s):  
Optical Properties ◽  
Electronic Properties ◽  
Function Approximation ◽  
Tight Binding ◽  
The Self ◽  
Optical And Electronic Properties ◽  
Self Consistent ◽  
Binding Models ◽  
Band Profile ◽  
Band Mixing

A tight-binding models which account for band mixing, strain and external applied potentials in a self-consistent fashion has been developed. This allows us to describe electronic and optical properties of nanostructured devices beyond the usual envelope function approximation. This model can be applied to direct and indirect gap semiconductors thus allowing for instance the self-consistent calculation of band profile and carrier control in pseudomorphic InGaAs/GaAs HEMTs and SiGe/Si MODFETs.

Manipulating the optical and electronic properties of MoO3 films through electric-field-induced ion migration

2021 ◽  
Author(s):  
Xiaoxia Wang ◽  
Fanfan Du ◽  
Yingmei Zhang ◽  
Jie Yang ◽  
Xiaoli Li ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Optical Properties ◽  
Electric Field ◽  
Electronic Properties ◽  
Hydrogen Ions ◽  
Lithium Ions ◽  
Ion Migration ◽  
Electronic And Optical Properties ◽  
Acidic Ionic Liquid ◽  
Optical And Electronic Properties

The intercalation of hydrogen ions and lithium ions in MoO3 films is realized by acidic ionic liquid gating, which modifies the electronic and optical properties of MoO3 films, is promising for designing multifunctional devices.

New Tight-Binding Method for Simulation of Defect Configurations, Creation and Diffusion Mechanisms in Solids: Application to Silicon

1998 ◽  
Vol 527 ◽  
Author(s):  
Zokirkhon M. Khakimov
Keyword(s):  
Tight Binding ◽  
The Self ◽  
Atomic Diffusion ◽  
Self Consistent ◽  
Tight Binding Method ◽  
Comparable Accuracy ◽  
Diffusion Mechanisms ◽  
New Generation ◽  
And Diffusion ◽  
Metastable Defect

ABSTRACTThis paper presents the self-consistent tight-binding method of new generation which, unlike other tight-binding methods, allows one to calculate structural energies of multiatomic systems (molecules, clusters, defects in solids) and their spectroscopic energies in the framework of the same computational scheme and with comparable accuracy. Reliability of the method is illustrated considering defect state problems in crystalline and amorphous silicon (electron-enhanced-atomic diffusion, metastable defect creation, defects with effective-negative correlation energies, etc.) and comparing obtained results with ab initio calculations and experimental data.

Electronic properties of austenite and martensite Fe-9%Mn alloys

Open Physics ◽  
2008 ◽  
Vol 6 (4) ◽  
Author(s):  
Ercan Uçgun ◽  
Hamza Ocak
Keyword(s):  
Total Energy ◽  
Electronic Properties ◽  
Lattice Relaxation ◽  
The Self ◽  
Full Potential ◽  
Generalized Gradient ◽  
Plane Wave Method ◽  
Lattice Constants ◽  
Generalized Gradient Approximation ◽  
Self Consistent

AbstractWe calculate the electronic properties of austenite and martensite Fe-9%Mn alloys using the self consistent full-potential linearized-plane-wave method under the generalized gradient approximation full lattice relaxation. By minimizing total-energy, the lattice constants in their ground states were determined. We discuss the total energy dependence of the volume, and density of states (DOS).

Tight-Binding Study of the {211} Σ=3 Grain Boundary in Cubic Silicon-Carbide

1994 ◽  
Vol 339 ◽  
Author(s):  
M. Kohyama ◽  
R. Yamamoto
Keyword(s):  
Grain Boundaries ◽  
Electronic Structures ◽  
Tight Binding ◽  
The Self ◽  
Localized States ◽  
General Definition ◽  
Self Consistent ◽  
Tight Binding Method ◽  
Definition Of ◽  
Cubic Silicon Carbide

ABSTRACTIn grain boundaries in compound semiconductors such as SiC, the interface stoichiometry and the wrong bonds between like atoms are of much importance. Firstly, a general definition of the interface stoichiometry in such grain boundaries has been discussed. Secondly, the atomic and electronic structures of the {211} Σ=3 boundary in SiC have been examined by using the self-consistent tight-binding method, based on the atomic models with bonding networks similar to those in the models of the same boundary in Si or Ge. The wrong bonds have significant effects through the large electrostatic repulsion and the generation of localized states as well as those in the {122} Σ=9 boundary in SiC. And the different bond lengths of the wrong bonds very much affect the local bond distortions at the interfaces, which determines the relative stability among the present models.

New Tight-Binding Method for Simulation of Defect Configurations, Creation and Diffusion Mechanisms in Solids: Application to Silicon

1998 ◽  
Vol 532 ◽  
Author(s):  
Zokirkhon M. Khakimov
Keyword(s):  
Tight Binding ◽  
The Self ◽  
Atomic Diffusion ◽  
Self Consistent ◽  
Tight Binding Method ◽  
Comparable Accuracy ◽  
Diffusion Mechanisms ◽  
New Generation ◽  
And Diffusion ◽  
Metastable Defect

ABSTRACTThis paper presents the self-consistent tight-binding method of new generation which, unlike other tight-binding methods, allows one to calculate structural energies of multiatomic systems (molecules, clusters, defects in solids) and their spectroscopic energies in the framework of the same computational scheme and with comparable accuracy. Reliability of the method is illustrated considering defect state problems in crystalline and amorphous silicon (electronenhanced- atomic diffusion, metastable defect creation, defects with effective-negative correlation energies, etc.) and comparing obtained results with ab initio calculations and experimental data.

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