Tigh-Binding approach for disordered system

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SUMMARY

The discussion centers on the application of the Tight-Binding method for calculating energy dispersion in disordered systems, specifically for non-crystalline materials like clusters or quantum dots composed of 2-3 carbon atoms bonded by sp2 orbitals. The participant is familiar with the traditional Tight-Binding approach used for periodic structures but seeks guidance on adapting it for disordered systems. The Extended Hueckel approximation is suggested as a relevant concept from quantum chemistry that may aid in this adaptation.

PREREQUISITES
  • Understanding of Tight-Binding calculations
  • Familiarity with non-crystalline materials
  • Knowledge of quantum dots and their properties
  • Basic principles of quantum chemistry, particularly the Extended Hueckel approximation
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  • Research the application of the Tight-Binding method in disordered systems
  • Study the Extended Hueckel approximation in detail
  • Explore computational tools for modeling quantum dots
  • Investigate energy dispersion calculations specific to non-crystalline materials
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Researchers and students in materials science, quantum chemistry, and condensed matter physics, particularly those focusing on the properties of disordered systems and quantum dots.

Iron_Man
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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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Maybe you have a look at a book on quantum chemistry. There, the tight binding approach is known as "Extended Hueckel approximation".
 

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