Tight binding for graphene pz orbital

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SUMMARY

The tight binding method is a solid-state physics approach synonymous with the Linear Combination of Atomic Orbitals (LCAO) method used in chemistry. Specifically for graphene, this method focuses on the pz orbitals, aligning with the Hückel method for basic calculations. When incorporating electron correlation effects, the Pariser-Parr-Pople (PPP) method, often referred to as the Hubbard model, is utilized. This discussion clarifies the relationship between these methodologies in the context of graphene's electronic properties.

PREREQUISITES
  • Understanding of solid-state physics principles
  • Familiarity with the Linear Combination of Atomic Orbitals (LCAO) method
  • Knowledge of Hückel molecular orbital theory
  • Basic concepts of electron correlation in quantum mechanics
NEXT STEPS
  • Research the tight binding model in solid-state physics
  • Study the Hückel method for molecular orbital calculations
  • Explore the Pariser-Parr-Pople (PPP) method and its applications
  • Learn about the Hubbard model and its significance in condensed matter physics
USEFUL FOR

Students and researchers in solid-state physics, chemists studying molecular orbitals, and anyone interested in the electronic properties of graphene.

Avinash Vikat
Can anyone explain what is tight binding method . I don't understand much .for solids mostly for graphene with one atom per site
 
Engineering news on Phys.org
Tight binding is the term solid state physicists use to call what chemists call LCAO method. In the case of graphene, if they only consider the pz, this is equivalent to the Hueckel method, or, if some correlation is taken into account, the Pariser Parr Pople method (PPP), which they tend to call the Hubbard model.
 

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