Tigh-Binding approach for disordered system

In summary, the Tight-Binding approach is a theoretical framework that takes into account the interactions between atoms in disordered systems, allowing for the calculation of electronic properties. It differs from other methods in that it includes the effects of disorder, making it more accurate for studying disordered materials. Some advantages of using this approach include its computational efficiency, ability to model different types of disorder, and versatility in studying various systems. However, there are limitations such as its simplified model and reliance on interatomic parameters. The Tight-Binding approach has been used in practical applications such as designing new materials and studying energy storage systems, and has also been combined with other methods for a more comprehensive understanding of disordered materials.
  • #1
Iron_Man
1
0
Hello everyone,

I am interested in Tigh-Binding calculation of energy dispersion for non-crystalline material. I am familiar with usual tight-binding approach for periodic structure, but I don’t understand how to use it in case of disordered system, For example cluster (or quantum dot) with 2-3 atoms of carbons bonded together by sp2 orbitals.

Any idea?
 
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  • #2
Maybe you have a look at a book on quantum chemistry. There, the tight binding approach is known as "Extended Hueckel approximation".
 

Related to Tigh-Binding approach for disordered system

1. What is the Tight-Binding approach for disordered systems?

The Tight-Binding approach is a theoretical framework used to describe the electronic structure of disordered systems, such as amorphous solids or disordered alloys. It takes into account the interactions between atoms and their neighboring atoms, and allows for the calculation of electronic properties such as band structures and densities of states.

2. How does the Tight-Binding approach differ from other methods for studying disordered systems?

The Tight-Binding approach differs from other methods, such as density functional theory, in that it includes the effects of disorder on the electronic structure. This allows for a more accurate description of the electronic properties of disordered materials, which are often difficult to study using traditional methods.

3. What are the advantages of using the Tight-Binding approach for studying disordered systems?

One advantage of the Tight-Binding approach is that it is computationally efficient, making it suitable for studying large systems. It also takes into account the effects of disorder, which is important for accurately describing the electronic properties of disordered materials. Additionally, the Tight-Binding approach can be easily adapted to include different types of disorder, making it a versatile tool for studying a wide range of disordered systems.

4. What are some limitations of the Tight-Binding approach for disordered systems?

One limitation of the Tight-Binding approach is that it relies on a simplified model of the electronic structure, which may not accurately capture all of the complexities of real materials. It also requires knowledge of the parameters for the interatomic interactions, which may be difficult to obtain for some systems. Additionally, the Tight-Binding approach may not be suitable for studying highly disordered systems with a large number of defects.

5. How is the Tight-Binding approach used in practical applications?

The Tight-Binding approach has been used in a variety of practical applications, such as the design of new materials for electronic devices and the study of disordered materials in energy storage systems. It has also been used to investigate the effects of disorder on the properties of materials, which can help guide the development of new materials with desired properties. Additionally, the Tight-Binding approach has been used in conjunction with other theoretical and experimental methods to gain a more comprehensive understanding of the properties of disordered materials.

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