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CMP-3rd Assignment, Manjubala
CMP-3rd Assignment, Manjubala
CMP-3rd Assignment, Manjubala
APPROXIMATION
ASSIGNMENT – 3
CENTRAL UNIVERSITY OF
Introduction :
For materials which are formed from closed-shell atoms or ions, or even covalent
solids, the free electron model seems inappropriate. In the tight-binding model, we
imagine how the wavefunctions of atoms or ions will interact as we bring them
together.
As the name suggests, “Tight Binding” electronic band model assumes that the
electrons are tightly bound to their parent nuclei in the crystal.
This model suggest that the overlapping of wavefunctions of the orbitals for the
neighboring and far away atoms are negligible.
For example, take two hydrogen atoms, A and B, and consider the states
When more atoms are brought together, the degeneracies are further split – to form bands
ranging from fully bonding to fully antibonding. Different orbitals can lead to band overlap.
3-D cubic lattice
The weaker the overlap (Y) the narrower is the band gap
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